1,1,2,3,3,4,5,5,5-nonachloropent-1-ene

• ChemBase ID: 111836
• Molecular Formular: C5HCl9
• Molecular Mass: 380.13844
• Monoisotopic Mass: 375.72749915
• SMILES: ClC(C(Cl)(Cl)Cl)C(Cl)(Cl)C(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(C(C(C(Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)Cl
• InChI: InChI=1S/C5HCl9/c6-1(2(7)8)4(10,11)3(9)5(12,13)14/h3H
• InChIKey: RNIRVEPXXQSWMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3,4,5,5,5-nonachloropent-1-ene
• IUPAC Traditional name: 1,1,2,3,3,4,5,5,5-nonachloropent-1-ene
• Synonyms: 1,1,2,3,3,4,5,5,5-NONACHLORO-1-PENTENE

Database IDs

• PubChem SID: 162106530
• PubChem CID: 44135669

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.760776
• LogD (pH = 7.4): 5.760776
• Log P: 5.760776
• Molar Refractivity: 79.7205 cm^3
• Polarizability: 27.08407 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221233

MP Biomedicals Rare Chemical collection