ChemSpider 2D Image | LU86E5P72A | C14H20O

LU86E5P72A

  • Molecular FormulaC14H20O
  • Average mass204.308 Da
  • Monoisotopic mass204.151413 Da
  • ChemSpider ID34992160

  • 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

(3E,5Z)-5-[(1S,4R)-3,3-Dimethylbicyclo[2.2.1]hept-2-yliden]-3-penten-2-on [German] [ACD/IUPAC Name]
(3E,5Z)-5-[(1S,4R)-3,3-Dimethylbicyclo[2.2.1]hept-2-ylidene]-3-penten-2-one [ACD/IUPAC Name]
(3E,5Z)-5-[(1S,4R)-3,3-Diméthylbicyclo[2.2.1]hept-2-ylidène]-3-pentén-2-one [French] [ACD/IUPAC Name]
218-757-2 [EINECS]
2226-11-1 [RN]
3-Penten-2-one, 5-[(1S,4R)-3,3-dimethylbicyclo[2.2.1]hept-2-ylidene]-, (3E,5Z)- [ACD/Index Name]
LU86E5P72A
UNII:LU86E5P72A
01/11/2226
58404-78-7 [RN]
More...

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

4705 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 308.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 135.0±12.5 °C
Index of Refraction: 1.555
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 512.33
ACD/KOC (pH 5.5): 3027.62
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 512.33
ACD/KOC (pH 7.4): 3027.62
Polar Surface Area: 17 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site


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