1-chloro-5-methoxypentane

• ChemBase ID: 270321
• Molecular Formular: C6H13ClO
• Molecular Mass: 136.61982
• Monoisotopic Mass: 136.06549272
• SMILES: ClCCCCCOC
• Canonical SMILES: ClCCCCCOC
• InChI: InChI=1S/C6H13ClO/c1-8-6-4-2-3-5-7/h2-6H2,1H3
• InChIKey: WYHRHDHCOCVTDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-5-methoxypentane
• IUPAC Traditional name: 1-chloro-5-methoxypentane
• Synonyms: 1-chloro-5-methoxypentane

Database IDs

• MDL Number: MFCD11645084
• PubChem SID: 164326231
• PubChem CID: 18001686

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8109304
• LogD (pH = 7.4): 1.8109304
• Log P: 1.8109304
• Molar Refractivity: 36.4668 cm^3
• Polarizability: 14.302796 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.781

Product Information

• Purity: 95%