2-Cyclooctyl-2-propanol
PubChem CID
27966
Structure
Molecular Formula
Synonyms
- 2-cyclooctylpropan-2-ol
- 2-CYCLOOCTYL-2-PROPANOL
- 16624-06-9
- alpha,alpha-Dimethylcyclooctanemethanol
- Cyclooctanemethanol, .alpha.,.alpha.-dimethyl-
Molecular Weight
170.29 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
2-cyclooctylpropan-2-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SSIKICQJPUCGEG-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)(C1CCCCCCC1)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H22O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
16624-06-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
170.29 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.6
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
170.167065321 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
170.167065321 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
121
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)
Other Classes -> Alcohols and Polyols, Other
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SSIKICQJPUCGEG-UHFFFAOYSA-N
- ChemIDplus2-Cyclooctyl-2-propanolhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0016624069ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-Cyclooctyl-2-propanolhttps://comptox.epa.gov/dashboard/DTXSID50168083
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/About2-Cyclooctyl-2-propanolhttps://haz-map.com/Agents/13482
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawCyclooctanemethanol, .alpha.,.alpha.-dimethyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCyclooctanemethanol, .alpha.,.alpha.-dimethyl-https://spectrabase.com/spectrum/FPZzcIu3L6R
- Wikidata2-Cyclooctyl-2-propanolhttps://www.wikidata.org/wiki/Q83037599
- PubChem
- PATENTSCOPE (WIPO)SID 392679984https://pubchem.ncbi.nlm.nih.gov/substance/392679984
CONTENTS