ChemSpider 2D Image | (12E)-12-[(3,4-Dihydroxyphenyl)(hydroxy)methylene]-4-isopropenyl-3,3,9,9-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)tricyclo[8.3.1.0~1,7~]tetradecane-11,13,14-trione | C38H50O6

(12E)-12-[(3,4-Dihydroxyphenyl)(hydroxy)methylene]-4-isopropenyl-3,3,9,9-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)tricyclo[8.3.1.01,7]tetradecane-11,13,14-trione

  • Molecular FormulaC38H50O6
  • Average mass602.800 Da
  • Monoisotopic mass602.360718 Da
  • ChemSpider ID9459874

  • Double-bond stereo - Double-bond stereo

More details:

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

(12E)-12-[(3,4-Dihydroxyphenyl)(hydroxy)methylen]-4-isopropenyl-3,3,9,9-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)tricyclo[8.3.1.01,7]tetradecan-11,13,14-trion [German] [ACD/IUPAC Name]
(12E)-12-[(3,4-Dihydroxyphenyl)(hydroxy)methylene]-4-isopropenyl-3,3,9,9-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)tricyclo[8.3.1.01,7]tetradecane-11,13,14-trione [ACD/IUPAC Name]
(12E)-12-[(3,4-Dihydroxyphényl)(hydroxy)méthylène]-4-isopropényl-3,3,9,9-tétraméthyl-8,10-bis(3-méthyl-2-butén-1-yl)tricyclo[8.3.1.01,7]tétradécane-11,13,14-trione [French] [ACD/IUPAC Name]
5a,9-Methano-5aH-cycloheptacyclooctene-6,8,12(1H,7H)-trione, 7-[(3,4-dihydroxyphenyl)hydroxymethylene]octahydro-4,4,10,10-tetramethyl-9,11-bis(3-methyl-2-buten-1-yl)-3-(1-methylethenyl)-, (7E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 401.3±29.4 °C
Index of Refraction: 1.586
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.75
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 531897.75
ACD/KOC (pH 5.5): 221000.73
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 8438.82
ACD/KOC (pH 7.4): 3506.28
Polar Surface Area: 112 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 512.6±5.0 cm3

Click to predict properties on the Chemicalize site


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