3-Methyl-5-propylnonane
PubChem CID
545955
Structure
Molecular Formula
Synonyms
- 3-Methyl-5-propylnonane
- Nonane, 3-methyl-5-propyl-
- 31081-18-2
- nonane,3-methyl-5-propyl
- 3-Methyl-5-propylnonane #
Molecular Weight
184.36 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Description
3-Methyl-5-propylnonane has been reported in Capsicum annuum with data available.
Chemical Structure Depiction
3-methyl-5-propylnonane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H28/c1-5-8-10-13(9-6-2)11-12(4)7-3/h12-13H,5-11H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XHJWMVOQYQFTBM-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCC(CCC)CC(C)CC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H28
Computed by PubChem 2.2 (PubChem release 2021.10.14)
31081-18-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
184.36 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
6.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
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
184.219100893 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
184.219100893 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
96.2
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
2
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 non-polar
1052
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Same Connectivity Count
Same Parent, Connectivity Count
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=XHJWMVOQYQFTBM-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- EPA DSSTox3-Methyl-5-propylnonanehttps://comptox.epa.gov/dashboard/DTXSID30338025CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database3-Methyl-5-propylnonanehttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00052689
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/3-Methyl-5-propylnonanehttps://www.wikidata.org/wiki/Q82106173LOTUS Treehttps://lotus.naturalproducts.net/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawNonane, 3-methyl-5-propyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseNONANE, 3-METHYL-5-PROPYL-https://spectrabase.com/spectrum/DxV4QwAyJzf3-Methyl-5-propylnonanehttps://spectrabase.com/spectrum/GjIqoIULiQi
- Springer Nature
- Wikidata3-Methyl-5-propylnonanehttps://www.wikidata.org/wiki/Q82106173
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- 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 391280618https://pubchem.ncbi.nlm.nih.gov/substance/391280618
CONTENTS