1-methoxyprop-1-ene

• ChemBase ID: 234956
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: C(=C\C)/OC
• Canonical SMILES: CO/C=C/C
• InChI: InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3
• InChIKey: QHMVQKOXILNZQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxyprop-1-ene
• IUPAC Traditional name: 1-methoxyprop-1-ene
• Synonyms: 1-methoxyprop-1-ene

Database IDs

• MDL Number: MFCD01861884
• PubChem SID: 164290866
• PubChem CID: 637914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0158589
• LogD (pH = 7.4): 1.0158589
• Log P: 1.0158589
• Molar Refractivity: 22.3782 cm^3
• Polarizability: 8.548852 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.146

Product Information

• Purity: 95%