1,4-dioxaspiro[4.5]decan-8-ol

• ChemBase ID: 17967
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: C1(CCC2(CC1)OCCO2)O
• Canonical SMILES: OC1CCC2(CC1)OCCO2
• InChI: InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
• InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.5]decan-8-ol
• IUPAC Traditional name: 1,4-dioxaspiro[4.5]decan-8-ol
• Synonyms: 4-Hydroxycyclohexanone monoethylene ketal; 1,4-Dioxaspiro[4,5]decan-8-ol; 4-Hydroxycyclohexanone ethylene acetal; 1,4-Dioxa-spiro[4.5]decan-8-ol; 1,4-dioxaspiro[4.5]decan-8-ol; 4-羟基环己酮乙二醇缩醛

Database IDs

• CAS Number: 22428-87-1
• MDL Number: MFCD00067003
• PubChem SID: 160981274
• PubChem CID: 567352

CALCULATED PROPERTIES

• Acid pKa: 15.242894
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36161602
• LogD (pH = 7.4): 0.36161602
• Log P: 0.36161602
• Molar Refractivity: 40.1665 cm^3
• Polarizability: 16.05312 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4880
• Hydrophobicity(logP): -0.194

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 90+%; 95%; 97%