2-methyloctadec-7-ene

• ChemBase ID: 112667
• Molecular Formular: C19H38
• Molecular Mass: 266.50502
• Monoisotopic Mass: 266.29735122
• SMILES: CCCCCCCCCC/C=C/CCCCC(C)C
• Canonical SMILES: CCCCCCCCCC/C=C/CCCCC(C)C
• InChI: 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
• InChIKey: XDBKLFODBADBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloctadec-7-ene
• IUPAC Traditional name: 2-methyloctadec-7-ene
• Synonyms: 2-METHYL OCTADECENE-2

Database IDs

• CAS Number: 35354-39-3
• PubChem SID: 162097472
• PubChem CID: 5363114

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.391059
• LogD (pH = 7.4): 8.391059
• Log P: 8.391059
• Molar Refractivity: 90.2854 cm^3
• Polarizability: 35.610783 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225239

MP Biomedicals Rare Chemical collection