2,7-dichlorohept-1-ene

• ChemBase ID: 86299
• Molecular Formular: C7H12Cl2
• Molecular Mass: 167.07618
• Monoisotopic Mass: 166.03160574
• SMILES: ClC(=C)CCCCCCl
• Canonical SMILES: ClCCCCCC(=C)Cl
• InChI: InChI=1S/C7H12Cl2/c1-7(9)5-3-2-4-6-8/h1-6H2
• InChIKey: PAOPGDQMPIZTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichlorohept-1-ene
• IUPAC Traditional name: 2,7-dichlorohept-1-ene
• Synonyms: 2,7-Dichlorohept-1-ene 97%

Database IDs

• MDL Number: MFCD00671829
• PubChem SID: 162073415
• PubChem CID: 24721687

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2704875
• LogD (pH = 7.4): 3.2704875
• Log P: 3.2704875
• Molar Refractivity: 43.9032 cm^3
• Polarizability: 17.03704 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true