ChemSpider 2D Image | kitol | C40H60O2

kitol

  • Molecular FormulaC40H60O2
  • Average mass572.903 Da
  • Monoisotopic mass572.459351 Da
  • ChemSpider ID4945481

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

{(1R,2S,5S,6R)-3,6-Dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-yl]-3-cyclohexen -1,2-diyl}dimethanol [German] [ACD/IUPAC Name]
{(1R,2S,5S,6R)-3,6-Dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-yl]-3-cyclohexen e-1,2-diyl}dimethanol [ACD/IUPAC Name]
{(1R,2S,5S,6R)-3,6-Diméthyl-5-[(1E,3E)-2-méthyl-4-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3-butadién-1-yl]-6-[(1E,3E,5E)-4-méthyl-6-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3,5-hexatrién-1-yl]-3-cyclohexèn e-1,2-diyl}diméthanol [French] [ACD/IUPAC Name]
{(1R,2S,5S,6R)-3,6-Dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]cyclohex-3-ene-1,2-diyl}dimethanol
111CFG4V2B
3-Cyclohexene-1,2-dimethanol, 3,6-dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-y l]-, (1R,2S,5S,6R)- [ACD/Index Name]
3-cyclohexene-1,2-dimethanol, 3,6-dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-yl]-, (1R,2S,5S,6R)-
4626-00-0 [RN]
kitol
UNII:111CFG4V2B
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 254.5±26.1 °C
Index of Refraction: 1.593
Molar Refractivity: 190.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.85
ACD/LogD (pH 5.5): 11.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 561.3±3.0 cm3

Click to predict properties on the Chemicalize site


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