ChemSpider 2D Image | MFCD00151757 | C12H22O

MFCD00151757

  • Molecular FormulaC12H22O
  • Average mass182.303 Da
  • Monoisotopic mass182.167068 Da
  • ChemSpider ID22900960

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-2-Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol [ACD/IUPAC Name]
(1S,4R)-2-Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol [German] [ACD/IUPAC Name]
(1S,4R)-2-Éthyl-1,3,3-triméthylbicyclo[2.2.1]heptan-2-ol [French] [ACD/IUPAC Name]
18368-91-7 [RN]
242-243-7 [EINECS]
2-Ethylfenchol
Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-, (1S,4R)- [ACD/Index Name]
MFCD00151757
1217528-54-5 [RN]
137255-07-3 [RN]
More...

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

3044187 [DBID]
3491 [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: 224.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.488
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.13
ACD/KOC (pH 5.5): 1500.40
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.13
ACD/KOC (pH 7.4): 1500.40
Polar Surface Area: 20 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 191.4±3.0 cm3

Click to predict properties on the Chemicalize site


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