methylcyclopropane

• ChemBase ID: 128356
• Molecular Formular: C4H8
• Molecular Mass: 56.10632
• Monoisotopic Mass: 56.06260026
• SMILES: CC1CC1
• Canonical SMILES: CC1CC1
• InChI: InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3
• InChIKey: VNXBKJFUJUWOCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylcyclopropane
• IUPAC Traditional name: methylcyclopropane
• Synonyms: Methylcyclopropane

Database IDs

• CAS Number: 594-11-6
• PubChem SID: 162222664
• PubChem CID: 11657
• Wikipedia Title: Methylcyclopropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.620725
• LogD (pH = 7.4): 1.620725
• Log P: 1.620725
• Molar Refractivity: 18.3516 cm^3
• Polarizability: 7.388168 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless gas
• Melting Point: -117.2°C
• Boiling Point: 4 - 5°C
• Density: 0.6912 g/cm^3