1-[2-(1-hydroxycyclopropyl)ethyl]cyclopropan-1-ol

• ChemBase ID: 79975
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: OC1(CC1)CCC1(CC1)O
• Canonical SMILES: OC1(CCC2(O)CC2)CC1
• InChI: InChI=1S/C8H14O2/c9-7(1-2-7)5-6-8(10)3-4-8/h9-10H,1-6H2
• InChIKey: XRSPWZSTDUVAJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1-hydroxycyclopropyl)ethyl]cyclopropan-1-ol
• IUPAC Traditional name: 1-[2-(1-hydroxycyclopropyl)ethyl]cyclopropan-1-ol
• Synonyms: 1-[2-(1-hydroxycyclopropyl)ethyl]cyclopropanol

Database IDs

• MDL Number: MFCD00218872
• PubChem SID: 162044738
• PubChem CID: 736414

CALCULATED PROPERTIES

• Acid pKa: 14.858584
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14730982
• LogD (pH = 7.4): 0.14730981
• Log P: 0.14730982
• Molar Refractivity: 38.2652 cm^3
• Polarizability: 15.256077 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true