(E)-2-methyloctadec-7-ene

C19H38 — CID 5363114

IUPAC(E)-2-methyloctadec-7-ene
SMILESCCCCCCCCCC/C=C/CCCCC(C)C
InChIInChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+
InChIKeyXDBKLFODBADBED-BUHFOSPRSA-N
MW266.51 g/mol
LogP7.29
Rot. Bonds14

About (E)-2-methyloctadec-7-ene

(E)-2-methyloctadec-7-ene (PubChem CID 5363114) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (E)-2-methyloctadec-7-ene.

Molecular Properties

Compound Name(E)-2-methyloctadec-7-ene
PubChem CID5363114
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(E)-2-methyloctadec-7-ene
SMILESCCCCCCCCCC/C=C/CCCCC(C)C
InChIInChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+
InChIKeyXDBKLFODBADBED-BUHFOSPRSA-N
XLogP7.29
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 ≤ 57.29
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 (E)-2-methyloctadec-7-ene?
The IUPAC name of (E)-2-methyloctadec-7-ene (CID 5363114) is (E)-2-methyloctadec-7-ene.
What is the SMILES notation for (E)-2-methyloctadec-7-ene?
The canonical SMILES for (E)-2-methyloctadec-7-ene is CCCCCCCCCC/C=C/CCCCC(C)C.
What is the InChIKey of (E)-2-methyloctadec-7-ene?
The InChIKey is XDBKLFODBADBED-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+.
What are the key properties of (E)-2-methyloctadec-7-ene?
(E)-2-methyloctadec-7-ene has a molecular weight of 266.51 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyloctadec-7-ene is sourced from PubChem (CID 5363114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).