9-chloro-2-methylnon-1-ene

• ChemBase ID: 86382
• Molecular Formular: C10H19Cl
• Molecular Mass: 174.71086
• Monoisotopic Mass: 174.11752829
• SMILES: ClCCCCCCCC(=C)C
• Canonical SMILES: ClCCCCCCCC(=C)C
• InChI: InChI=1S/C10H19Cl/c1-10(2)8-6-4-3-5-7-9-11/h1,3-9H2,2H3
• InChIKey: BKSRRDDOTAXJBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-2-methylnon-1-ene
• IUPAC Traditional name: 9-chloro-2-methylnon-1-ene
• Synonyms: 9-Chloro-2-methylnon-1-ene 97%

Database IDs

• CAS Number: 485320-17-0
• MDL Number: MFCD00671837
• PubChem SID: 162073498
• PubChem CID: 24721693

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.32213
• LogD (pH = 7.4): 4.32213
• Log P: 4.32213
• Molar Refractivity: 52.517 cm^3
• Polarizability: 20.728935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant