2,9-dichloronon-1-ene

• ChemBase ID: 86320
• Molecular Formular: C9H16Cl2
• Molecular Mass: 195.12934
• Monoisotopic Mass: 194.06290587
• SMILES: ClC(=C)CCCCCCCCl
• Canonical SMILES: ClCCCCCCCC(=C)Cl
• InChI: InChI=1S/C9H16Cl2/c1-9(11)7-5-3-2-4-6-8-10/h1-8H2
• InChIKey: YOSLDMVBPIVEPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,9-dichloronon-1-ene
• IUPAC Traditional name: 2,9-dichloronon-1-ene
• Synonyms: 2,9-Dichloronon-1-ene 97%

Database IDs

• MDL Number: MFCD00671831
• PubChem SID: 162073436
• PubChem CID: 24721689

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1596246
• LogD (pH = 7.4): 4.1596246
• Log P: 4.1596246
• Molar Refractivity: 53.1052 cm^3
• Polarizability: 20.708921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true