10-Undecyn-1-ol
PubChem CID
76015
Structure
Chemical Safety
Molecular Formula
Synonyms
- 10-Undecyn-1-ol
- undec-10-yn-1-ol
- 2774-84-7
- MFCD00041675
- DTXSID0062638
Molecular Weight
168.28 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
10-Undecyn-1-ol has been reported in Perilla frutescens, Kaempferia galanga, and Azadirachta indica with data available.
Chemical Structure Depiction
undec-10-yn-1-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YUQZOUNRPZBQJK-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C#CCCCCCCCCCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H20O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
10-undecyn-1-ol
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
168.28 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
168.151415257 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
168.151415257 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
120
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard polar
2318
NIST Number
113281
Library
Main library
Total Peaks
57
m/z Top Peak
41
m/z 2nd Highest
67
m/z 3rd Highest
55
Thumbnail
NIST Number
250533
Library
Replicate library
Total Peaks
80
m/z Top Peak
41
m/z 2nd Highest
67
m/z 3rd Highest
55
Thumbnail
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
Alfa Aesar, Thermo Fisher Scientific
Catalog Number
L11807
Lot Number
10186526
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
EPA TSCA Commercial Activity Status
10-Undecyn-1-ol: ACTIVE
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YUQZOUNRPZBQJK-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/10-Undecyn-1-olhttps://commonchemistry.cas.org/detail?cas_rn=2774-84-7
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA10-Undecyn-1-olhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox10-Undecyn-1-olhttps://comptox.epa.gov/dashboard/DTXSID0062638CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice10-Undecyn-1-ol (EC: 807-583-8)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/244421
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/10-Undecyn-1-olhttps://www.wikidata.org/wiki/Q18571289LOTUS Treehttps://lotus.naturalproducts.net/
- Natural Product Activity and Species Source (NPASS)
- Nature Chemistry
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law10-Undecyn-1-olhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase10-UNDECYN-1-OLhttps://spectrabase.com/spectrum/COdj97NPBvW10-UNDECYN-1-OLhttps://spectrabase.com/spectrum/KiLS1Qijl0o10-UNDECYN-1-OLhttps://spectrabase.com/spectrum/8zKMMJk7lgM10-UNDECYN-1-OLhttps://spectrabase.com/spectrum/8MOV8JlN6cy10-Undecyn-1-olhttps://spectrabase.com/spectrum/IoTNGCH6MXoUNDEC-10-IN-1-OLhttps://spectrabase.com/spectrum/FWETNPbkuA810-UNDECYN-1-OLhttps://spectrabase.com/spectrum/KUZP0qN57SA10-Undecyn-1-olhttps://spectrabase.com/spectrum/CSaNcXQINJa10-Undecyn-1-olhttps://spectrabase.com/spectrum/8WqtGcTRC6g
- Springer Nature
- SpringerMaterials
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata10-undecyn-1-olhttps://www.wikidata.org/wiki/Q18571289
- Wiley
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html10-undecyn-1-olhttps://www.ncbi.nlm.nih.gov/mesh/67530289
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403478933https://pubchem.ncbi.nlm.nih.gov/substance/403478933
CONTENTS