1-chloro-3-(propan-2-yloxy)propane

• ChemBase ID: 270219
• Molecular Formular: C6H13ClO
• Molecular Mass: 136.61982
• Monoisotopic Mass: 136.06549272
• SMILES: ClCCCOC(C)C
• Canonical SMILES: ClCCCOC(C)C
• InChI: InChI=1S/C6H13ClO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
• InChIKey: OYVDATWIUMMRMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-(propan-2-yloxy)propane
• IUPAC Traditional name: 1-chloro-3-isopropoxypropane
• Synonyms: 1-chloro-3-(propan-2-yloxy)propane

Database IDs

• MDL Number: MFCD09753651
• PubChem SID: 164326129
• PubChem CID: 20553682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.622382
• LogD (pH = 7.4): 1.622382
• Log P: 1.622382
• Molar Refractivity: 36.3886 cm^3
• Polarizability: 14.302821 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.571

Product Information

• Purity: 95%