dec-3-ene

• ChemBase ID: 112315
• Molecular Formular: C10H20
• Molecular Mass: 140.2658
• Monoisotopic Mass: 140.15650064
• SMILES: CCCCCC/C=C/CC
• Canonical SMILES: CCCCCC/C=C/CC
• InChI: InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3
• InChIKey: GVRWIAHBVAYKIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-3-ene
• IUPAC Traditional name: dec-3-ene
• Synonyms: cis-3-DECENE; trans-3-DECENE

Database IDs

• CAS Number: 19698-86-8; 19398-86-8
• PubChem SID: 162096922
• PubChem CID: 5362724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.547491
• LogD (pH = 7.4): 4.547491
• Log P: 4.547491
• Molar Refractivity: 48.9288 cm^3
• Polarizability: 18.989107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 168°C
• Density: 0.741 g/ml

DETAILS

MP Biomedicals - 05223473

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05226105

MP Biomedicals Rare Chemical collection