1,4-dioxaspiro[4.4]nonan-2-ylmethanol

• ChemBase ID: 272279
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: C12(OC(CO1)CO)CCCC2
• Canonical SMILES: OCC1COC2(O1)CCCC2
• InChI: InChI=1S/C8H14O3/c9-5-7-6-10-8(11-7)3-1-2-4-8/h7,9H,1-6H2
• InChIKey: MPXZOTDEWCLXNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.4]nonan-2-ylmethanol
• IUPAC Traditional name: 1,4-dioxaspiro[4.4]nonan-2-ylmethanol
• Synonyms: 1,4-dioxaspiro[4.4]nonan-2-ylmethanol

Database IDs

• MDL Number: MFCD01730202
• PubChem SID: 164328189
• PubChem CID: 13374735

CALCULATED PROPERTIES

• Log P: 0.6734309
• Molar Refractivity: 39.8585 cm^3
• Polarizability: 16.05312 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.596491
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6734309
• LogD (pH = 7.4): 0.6734309

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.386

Product Information

• Purity: 95%