(E)-9-methylnonadec-9-ene

C20H40 — CID 14783585

IUPAC(E)-9-methylnonadec-9-ene
SMILESCCCCCCCCC/C=C(\C)CCCCCCCC
InChIInChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3/b20-19+
InChIKeyVAEODIOQYMCRMF-FMQUCBEESA-N
MW280.54 g/mol
LogP7.82
Rot. Bonds15

About (E)-9-methylnonadec-9-ene

(E)-9-methylnonadec-9-ene (PubChem CID 14783585) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is (E)-9-methylnonadec-9-ene.

Molecular Properties

Compound Name(E)-9-methylnonadec-9-ene
PubChem CID14783585
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name(E)-9-methylnonadec-9-ene
SMILESCCCCCCCCC/C=C(\C)CCCCCCCC
InChIInChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3/b20-19+
InChIKeyVAEODIOQYMCRMF-FMQUCBEESA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylhexadec-4-ene
CID 174447790
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
2,6-dimethyltetradeca-2,6-diene
CID 57189781
3-methylicos-3-ene
CID 91445266
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of (E)-9-methylnonadec-9-ene?
The IUPAC name of (E)-9-methylnonadec-9-ene (CID 14783585) is (E)-9-methylnonadec-9-ene.
What is the SMILES notation for (E)-9-methylnonadec-9-ene?
The canonical SMILES for (E)-9-methylnonadec-9-ene is CCCCCCCCC/C=C(\C)CCCCCCCC.
What is the InChIKey of (E)-9-methylnonadec-9-ene?
The InChIKey is VAEODIOQYMCRMF-FMQUCBEESA-N. The full InChI is InChI=1S/C20H40/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h19H,4-18H2,1-3H3/b20-19+.
What are the key properties of (E)-9-methylnonadec-9-ene?
(E)-9-methylnonadec-9-ene has a molecular weight of 280.54 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methylnonadec-9-ene is sourced from PubChem (CID 14783585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).