1-cyclopropylcyclopropan-1-ol

• ChemBase ID: 284892
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1(C2CC2)(CC1)O
• Canonical SMILES: OC1(CC1)C1CC1
• InChI: InChI=1S/C6H10O/c7-6(3-4-6)5-1-2-5/h5,7H,1-4H2
• InChIKey: NCSLLWAWZBUTHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylcyclopropan-1-ol
• IUPAC Traditional name: 1-cyclopropylcyclopropan-1-ol
• Synonyms: 1-cyclopropylcyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840721
• PubChem SID: 180670423
• PubChem CID: 12705072

CALCULATED PROPERTIES

• Acid pKa: 18.19575
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6513334
• LogD (pH = 7.4): 0.65133345
• Log P: 0.65133345
• Molar Refractivity: 27.3041 cm^3
• Polarizability: 10.942202 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.463

Product Information

• Purity: 95%