1,5-dichloropentan-2-ol

• ChemBase ID: 244425
• Molecular Formular: C5H10Cl2O
• Molecular Mass: 157.0383
• Monoisotopic Mass: 156.0108703
• SMILES: ClCC(O)CCCCl
• Canonical SMILES: ClCCCC(CCl)O
• InChI: InChI=1S/C5H10Cl2O/c6-3-1-2-5(8)4-7/h5,8H,1-4H2
• InChIKey: MRPDYJBRFDKZCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dichloropentan-2-ol
• IUPAC Traditional name: 1,5-dichloropentan-2-ol
• Synonyms: 1,5-dichloropentan-2-ol

Database IDs

• MDL Number: MFCD19235272
• PubChem SID: 164300335
• PubChem CID: 13529157

CALCULATED PROPERTIES

• Acid pKa: 14.366914
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4474921
• LogD (pH = 7.4): 1.447492
• Log P: 1.4474921
• Molar Refractivity: 36.1281 cm^3
• Polarizability: 14.299968 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.908

Product Information

• Purity: 95%