tetradecahydrocyclododeca[c]furan

• ChemBase ID: 183466
• Molecular Formular: C14H26O
• Molecular Mass: 210.35564
• Monoisotopic Mass: 210.19836545
• SMILES: O1CC2C(C1)CCCCCCCCCC2
• Canonical SMILES: C1CCCCCCC2C(CCC1)COC2
• InChI: InChI=1S/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2
• InChIKey: ZOMKNVYKXOZLFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecahydrocyclododeca[c]furan
• IUPAC Traditional name: tetradecahydrocyclododeca[c]furan

Database IDs

• PubChem SID: 164239376
• PubChem CID: 170687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.353116
• LogD (pH = 7.4): 4.353116
• Log P: 4.353116
• Molar Refractivity: 64.5025 cm^3
• Polarizability: 25.766268 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds