1,2-dimethylcyclopropane

• ChemBase ID: 125107
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: CC1CC1C
• Canonical SMILES: CC1CC1C
• InChI: InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3
• InChIKey: VKJLDXGFBJBTRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylcyclopropane
• IUPAC Traditional name: 1,2-dimethylcyclopropane
• Synonyms: 1,2-Dimethylcyclopropane

Database IDs

• CAS Number: 2511-95-7
• PubChem SID: 162219457
• PubChem CID: 102832
• Chemspider ID: 92890
• Wikipedia Title: 1,2-Dimethylcyclopropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9077442
• LogD (pH = 7.4): 1.9077442
• Log P: 1.9077442
• Molar Refractivity: 22.9002 cm^3
• Polarizability: 9.23521 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: cis: -140 °C ; trans: -149.6 °C
• Boiling Point: cis: 37 °C ; trans: 28.2 °C
• Density: cis: 0.6889 g/cm3 ; trans: 0.6648 g/cm3
• Refractive Index: cis: 1.3829 (20 °C); trans: 1.3713 (20 °C)