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

• ChemBase ID: 242392
• Molecular Formular: C9H14O2
• Molecular Mass: 154.20626
• Monoisotopic Mass: 154.09937969
• SMILES: C12(C3C(C1O)CCO3)CCC2
• Canonical SMILES: OC1C2CCOC2C21CCC2
• InChI: InChI=1S/C9H14O2/c10-7-6-2-5-11-8(6)9(7)3-1-4-9/h6-8,10H,1-5H2
• InChIKey: LRQQASQAUCLTNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22741187
• PubChem SID: 164298302
• PubChem CID: 71757011

CALCULATED PROPERTIES

• Molar Refractivity: 40.6499 cm^3
• Polarizability: 16.442415 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.4324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4606847
• LogD (pH = 7.4): 0.46068463
• Log P: 0.4606847

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.513

Product Information

• Purity: 95%