10-Heneicosene (c,t)
PubChem CID
5364553
Structure
Molecular Formula
Synonyms
- 10-Heneicosene (c,t)
- 10-Heneicosene
- 95008-11-0
- (10E)-10-Henicosene #
- DTXSID80880867
Molecular Weight
294.6 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-04
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
(E)-henicos-10-ene
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h19,21H,3-18,20H2,1-2H3/b21-19+
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
QOJGJKKHTRAFOK-XUTLUUPISA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCC/C=C/CCCCCCCCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H42
Computed by PubChem 2.1 (PubChem release 2019.06.18)
95008-11-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
294.6 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
10.7
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
17
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
294.328651340 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
294.328651340 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
192
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
1
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 2010.01.29)
Standard non-polar
2060
NIST Number
113073
Library
Main library
Total Peaks
52
m/z Top Peak
55
m/z 2nd Highest
43
m/z 3rd Highest
41
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QOJGJKKHTRAFOK-XUTLUUPISA-N
- EPA DSSTox10-heneicosene (c,t)https://comptox.epa.gov/dashboard/DTXSID80880867CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law10-Heneicosene (c,t)http://www.nist.gov/srd/nist1a.cfm
- SpectraBasetrans-10-HENEICOSENEhttps://spectrabase.com/spectrum/1CFHhNOMhhetrans-10-HENEICOSENEhttps://spectrabase.com/spectrum/1uUevtK3jHE
- Springer Nature
- Wikidata10-heneicosene (c,t)https://www.wikidata.org/wiki/Q82862250
- 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/
- PATENTSCOPE (WIPO)SID 388361099https://pubchem.ncbi.nlm.nih.gov/substance/388361099
CONTENTS