ChemSpider 2D Image | (1S,3Z,4R)-1,7,7-Trimethyl-3-{[4-methyl(~2~H_4_)phenyl]methylene}bicyclo[2.2.1]heptan-2-one | C18H18D4O

(1S,3Z,4R)-1,7,7-Trimethyl-3-{[4-methyl(2H4)phenyl]methylene}bicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC18H18D4O
  • Average mass258.391 Da
  • Monoisotopic mass258.192169 Da
  • ChemSpider ID60497969

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,3Z,4R)-1,7,7-Trimethyl-3-{[4-methyl(2H4)phenyl]methylen}bicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,3Z,4R)-1,7,7-Trimethyl-3-{[4-methyl(2H4)phenyl]methylene}bicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,3Z,4R)-1,7,7-Triméthyl-3-{[4-méthyl(2H4)phényl]méthylène}bicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl-2,3,5,6-d4)methylene]-, (1S,3Z,4R)- [ACD/Index Name]
(?)-1,7,7-Trimethyl-3-[(4-methylphenyl)methylene]-bicyclo[2.2.1]heptan-2-one
(?)-3-(4-Methylbenzylidene-d4)camphor
1219806-41-3 [RN]
4-METHYLBENZYLIDENECAMPHOR

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

Density: 1.1±0.1 g/cm3
Boiling Point: 371.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 168.9±13.2 °C
Index of Refraction: 1.583
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2456.39
ACD/KOC (pH 5.5): 9297.61
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2456.39
ACD/KOC (pH 7.4): 9297.61
Polar Surface Area: 17 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


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