2,8-dichlorooct-1-ene

• ChemBase ID: 86310
• Molecular Formular: C8H14Cl2
• Molecular Mass: 181.10276
• Monoisotopic Mass: 180.04725581
• SMILES: ClC(=C)CCCCCCCl
• Canonical SMILES: ClCCCCCCC(=C)Cl
• InChI: InChI=1S/C8H14Cl2/c1-8(10)6-4-2-3-5-7-9/h1-7H2
• InChIKey: USNACSJJNIPRRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichlorooct-1-ene
• IUPAC Traditional name: 2,8-dichlorooct-1-ene
• Synonyms: 2,8-Dichlorooct-1-ene 97%

Database IDs

• MDL Number: MFCD00671830
• PubChem SID: 162073426
• PubChem CID: 24721688

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7150562
• LogD (pH = 7.4): 3.7150562
• Log P: 3.7150562
• Molar Refractivity: 48.5042 cm^3
• Polarizability: 18.872057 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true