6-Ethyl-2-methyloctane
PubChem CID
537768
Structure
Molecular Formula
Synonyms
- 6-Ethyl-2-methyloctane
- Octane, 6-ethyl-2-methyl-
- 62016-19-7
- 6-ethyl-2-methyl-octane
- 6-Ethyl-2-methyloctane #
Molecular Weight
156.31 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Description
6-ethyl-2-methyl-Octane is an alkane.
Chemical Structure Depiction
6-ethyl-2-methyloctane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H24/c1-5-11(6-2)9-7-8-10(3)4/h10-11H,5-9H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AZXGABNJUBNOHW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCC(CC)CCCC(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H24
Computed by PubChem 2.2 (PubChem release 2021.10.14)
62016-19-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
156.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.6
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
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
156.187800766 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
156.187800766 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
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
70.1
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)
Fatty Acyls [FA] -> Hydrocarbons [FA11]
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=AZXGABNJUBNOHW-UHFFFAOYSA-N
- ChEBI6-ethyl-2-methyl-Octanehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183305
- ChemIDplusOctane, 6-ethyl-2-methyl-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0062016197ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxoctane, 6-ethyl-2-methyl-https://comptox.epa.gov/dashboard/DTXSID10880815CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPS6-ethyl-2-methyloctanehttps://lipidmaps.org/databases/lmsd/LMFA11000625Lipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench6-ethyl-2-methyloctanehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5320
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawOctane, 6-ethyl-2-methyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseOCTANE, 6-ETHYL-2-METHYL-https://spectrabase.com/spectrum/Bznl1U8Sg6j6-Ethyl-2-methyloctanehttps://spectrabase.com/spectrum/H9ecIuUteeZ
- Springer Nature
- SpringerMaterials6-ethyl-2-methyloctanehttps://materials.springer.com/substanceprofile/docs/smsid_pyysemfbbkzgzxua
- Wikidataoctane, 6-ethyl-2-methyl-https://www.wikidata.org/wiki/Q82862200
- 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 392990132https://pubchem.ncbi.nlm.nih.gov/substance/392990132
CONTENTS