cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol

• ChemBase ID: 127181
• Molecular Formular: C6H12O12
• Molecular Mass: 276.15228
• Monoisotopic Mass: 276.03287582
• SMILES: OC1(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O
• Canonical SMILES: OC1(O)C(O)(O)C(O)(O)C(C(C1(O)O)(O)O)(O)O
• InChI: InChI=1S/C6H12O12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12/h7-18H
• InChIKey: MZIPHGCOJCDHPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
• IUPAC Traditional name: dodecahydroxycyclohexane
• Synonyms: dodecahydroxycyclohexane; Dodecahydroxycyclohexane

Database IDs

• PubChem SID: 162221503
• PubChem CID: 315987
• Chemspider ID: 279614
• Unique Ingredient Identifier: I1Z9VS3H64
• Wikipedia Title: Dodecahydroxycyclohexane

CALCULATED PROPERTIES

• Acid pKa: 7.4449573
• H Acceptors: 12
• H Donor: 12
• LogD (pH = 5.5): -4.9250216
• LogD (pH = 7.4): -5.2334075
• Log P: -4.920114
• Molar Refractivity: 44.5788 cm^3
• Polarizability: 19.554085 Å^3
• Polar Surface Area: 242.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false