4-chloro-1-methoxypentane

• ChemBase ID: 240824
• Molecular Formular: C6H13ClO
• Molecular Mass: 136.61982
• Monoisotopic Mass: 136.06549272
• SMILES: ClC(CCCOC)C
• Canonical SMILES: COCCCC(Cl)C
• InChI: InChI=1S/C6H13ClO/c1-6(7)4-3-5-8-2/h6H,3-5H2,1-2H3
• InChIKey: OIUCNEHJSBTZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-methoxypentane
• IUPAC Traditional name: 4-chloro-1-methoxypentane
• Synonyms: 4-chloro-1-methoxypentane

Database IDs

• MDL Number: MFCD16092156
• PubChem SID: 164296734
• PubChem CID: 61733901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7829367
• LogD (pH = 7.4): 1.7829367
• Log P: 1.7829367
• Molar Refractivity: 36.2846 cm^3
• Polarizability: 14.303733 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.781

Product Information

• Purity: 95%