1-(2-chloroethoxy)-3-methylbutane

• ChemBase ID: 261667
• Molecular Formular: C7H15ClO
• Molecular Mass: 150.6464
• Monoisotopic Mass: 150.08114278
• SMILES: ClCCOCCC(C)C
• Canonical SMILES: ClCCOCCC(C)C
• InChI: InChI=1S/C7H15ClO/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3
• InChIKey: XIRZIFKLTQCIEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-3-methylbutane
• IUPAC Traditional name: 1-(2-chloroethoxy)-3-methylbutane
• Synonyms: 1-(2-chloroethoxy)-3-methylbutane

Database IDs

• MDL Number: MFCD11102096
• PubChem SID: 164317577
• PubChem CID: 43135606

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3999574
• LogD (pH = 7.4): 2.3999574
• Log P: 2.3999574
• Molar Refractivity: 40.778 cm^3
• Polarizability: 16.138475 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.39

Product Information

• Purity: 95%