ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-hexanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C23H34O2

(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-hexanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC23H34O2
  • Average mass342.515 Da
  • Monoisotopic mass342.255890 Da
  • ChemSpider ID23310142

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-3-(1,1-Dimethylpentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol
(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-hexanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-hexanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-(2-méthyl-2-hexanyl)-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
22663-41-8 [RN]
6H-Dibenzo[b,d]pyran-1-ol, 3-(1,1-dimethylpentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylhexan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL398905
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398905/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 401.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 147.9±23.0 °C
Index of Refraction: 1.519
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 414117.06
ACD/KOC (pH 5.5): 365008.56
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 412527.38
ACD/KOC (pH 7.4): 363607.41
Polar Surface Area: 29 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

Click to predict properties on the Chemicalize site


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