heptadec-8-ene

• ChemBase ID: 155806
• Molecular Formular: C17H34
• Molecular Mass: 238.45186
• Monoisotopic Mass: 238.26605109
• SMILES: CCCCCCCC/C=C/CCCCCCC
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCC
• InChI: InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15,17H,3-14,16H2,1-2H3
• InChIKey: BIQKRILZMDQPHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadec-8-ene
• IUPAC Traditional name: heptadec-8-ene
• Synonyms: 8-Heptadecene

Database IDs

• CAS Number: 16369-12-3
• MDL Number: MFCD00060976
• Beilstein Number: 1840926
• PubChem SID: 24873577; 162249944
• PubChem CID: 5364555

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.6594715
• LogD (pH = 7.4): 7.6594715
• Log P: 7.6594715
• Molar Refractivity: 81.1358 cm^3
• Polarizability: 31.916922 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥96.0% (mixture of isomers (cis+trans), GC)
• Empirical Formula (Hill Notation): C17H34

DETAILS

Sigma Aldrich - 51667

General description
may contain up to 15% trans-8-heptadecene and 1% heptadecane