Found 1 result

Search term: 78438973 (Found by CSID)
ChemSpider 2D Image | (1R,7S,9aR)-6-(Hydroxymethyl)-7,9a-dimethyl-2,3,7,8,9,9a-hexahydro-1H-benzo[7]annulen-1-ol | C14H22O2

(1R,7S,9aR)-6-(Hydroxymethyl)-7,9a-dimethyl-2,3,7,8,9,9a-hexahydro-1H-benzo[7]annulen-1-ol

  • Molecular FormulaC14H22O2
  • Average mass222.323 Da
  • Monoisotopic mass222.161987 Da
  • ChemSpider ID78438973

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,7S,9aR)-6-(Hydroxymethyl)-7,9a-dimethyl-2,3,7,8,9,9a-hexahydro-1H-benzo[7]annulen-1-ol [German] [ACD/IUPAC Name]
(1R,7S,9aR)-6-(Hydroxymethyl)-7,9a-dimethyl-2,3,7,8,9,9a-hexahydro-1H-benzo[7]annulen-1-ol [ACD/IUPAC Name]
(1R,7S,9aR)-6-(Hydroxyméthyl)-7,9a-diméthyl-2,3,7,8,9,9a-hexahydro-1H-benzo[7]annulén-1-ol [French] [ACD/IUPAC Name]
1H-Benzocycloheptene-6-methanol, 2,3,7,8,9,9a-hexahydro-1-hydroxy-7,9a-dimethyl-, (1R,7S,9aR)- [ACD/Index Name]
Ochracene I

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

Density: 1.1±0.1 g/cm3
Boiling Point: 383.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 182.0±19.2 °C
Index of Refraction: 1.548
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.39
ACD/KOC (pH 5.5): 962.92
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.39
ACD/KOC (pH 7.4): 962.92
Polar Surface Area: 40 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 205.1±5.0 cm3

Click to predict properties on the Chemicalize site


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