4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-ol

• ChemBase ID: 242722
• Molecular Formular: C10H16O2
• Molecular Mass: 168.23284
• Monoisotopic Mass: 168.11502975
• SMILES: C12(C3C(C1O)CCO3)CCCC2
• Canonical SMILES: OC1C2CCOC2C21CCCC2
• InChI: InChI=1S/C10H16O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7-9,11H,1-6H2
• InChIKey: JGZUJPCFJQYINE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-ol
• IUPAC Traditional name: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-ol
• Synonyms: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopentane]-7-ol

Database IDs

• MDL Number: MFCD22578506
• PubChem SID: 164298632
• PubChem CID: 71757071

CALCULATED PROPERTIES

• Acid pKa: 14.432401
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.90525335
• LogD (pH = 7.4): 0.9052533
• Log P: 0.90525335
• Molar Refractivity: 45.2509 cm^3
• Polarizability: 18.27887 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.072

Product Information

• Purity: 95%