3-chloro-2-(methoxymethoxy)prop-1-ene

• ChemBase ID: 240515
• Molecular Formular: C5H9ClO2
• Molecular Mass: 136.57676
• Monoisotopic Mass: 136.02910721
• SMILES: C(=C)(OCOC)CCl
• Canonical SMILES: COCOC(=C)CCl
• InChI: InChI=1S/C5H9ClO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3
• InChIKey: JKHPOPCIKQQRPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(methoxymethoxy)prop-1-ene
• IUPAC Traditional name: 3-chloro-2-(methoxymethoxy)prop-1-ene
• Synonyms: 3-chloro-2-(methoxymethoxy)prop-1-ene

Database IDs

• MDL Number: MFCD00130115
• PubChem SID: 164296425
• PubChem CID: 10678294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0723705
• LogD (pH = 7.4): 1.0723705
• Log P: 1.0723705
• Molar Refractivity: 32.9715 cm^3
• Polarizability: 12.963778 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.404

Product Information

• Purity: 95%