Found 1 result

Search term: KAXCFKOQLQAHBM-UHLYCMHWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R,3S,5Z)-5-{(2E)-3-[3,5-Bis(6-hydroxy-6-methylheptyl)phenyl]-2-propen-1-ylidene}-4-methylene-1,3-cyclohexanediol | C32H50O4

(1R,3S,5Z)-5-{(2E)-3-[3,5-Bis(6-hydroxy-6-methylheptyl)phenyl]-2-propen-1-ylidene}-4-methylene-1,3-cyclohexanediol

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID129240584

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,3S,5Z)-5-{(2E)-3-[3,5-Bis(6-hydroxy-6-methylheptyl)phenyl]-2-propen-1-yliden}-4-methylen-1,3-cyclohexandiol [German] [ACD/IUPAC Name]
(1R,3S,5Z)-5-{(2E)-3-[3,5-Bis(6-hydroxy-6-methylheptyl)phenyl]-2-propen-1-ylidene}-4-methylene-1,3-cyclohexanediol [ACD/IUPAC Name]
(1R,3S,5Z)-5-{(2E)-3-[3,5-Bis(6-hydroxy-6-méthylheptyl)phényl]-2-propén-1-ylidène}-4-méthylène-1,3-cyclohexanediol [French] [ACD/IUPAC Name]
1,3-Benzenedihexanol, 5-[(1E,3Z)-3-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]-1-propen-1-yl]-α,α,α',α'-tetramethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 277.2±26.1 °C
Index of Refraction: 1.558
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19373.90
ACD/KOC (pH 5.5): 40773.39
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19373.90
ACD/KOC (pH 7.4): 40773.39
Polar Surface Area: 81 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 466.5±5.0 cm3

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