9-methyloctadec-9-ene

C19H38 — CID 54259429

IUPAC9-methyloctadec-9-ene
SMILESCCCCCCCCC=C(C)CCCCCCCC
InChIInChI=1S/C19H38/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyRCKXFWRCJBTHNQ-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.43
Rot. Bonds14

About 9-methyloctadec-9-ene

9-methyloctadec-9-ene (PubChem CID 54259429) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 9-methyloctadec-9-ene.

Molecular Properties

Compound Name9-methyloctadec-9-ene
PubChem CID54259429
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name9-methyloctadec-9-ene
SMILESCCCCCCCCC=C(C)CCCCCCCC
InChIInChI=1S/C19H38/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyRCKXFWRCJBTHNQ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.43
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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Frequently Asked Questions

What is the IUPAC name of 9-methyloctadec-9-ene?
The IUPAC name of 9-methyloctadec-9-ene (CID 54259429) is 9-methyloctadec-9-ene.
What is the SMILES notation for 9-methyloctadec-9-ene?
The canonical SMILES for 9-methyloctadec-9-ene is CCCCCCCCC=C(C)CCCCCCCC.
What is the InChIKey of 9-methyloctadec-9-ene?
The InChIKey is RCKXFWRCJBTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3.
What are the key properties of 9-methyloctadec-9-ene?
9-methyloctadec-9-ene has a molecular weight of 266.51 g/mol, XLogP of 7.43, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyloctadec-9-ene is sourced from PubChem (CID 54259429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).