ChemSpider 2D Image | (1S,9S,11S)-6-Isopropyl-12,12-dimethyl-16-oxatetracyclo[7.6.1.0~1,11~.0~3,8~]hexadeca-3,5,7-trien-5-ol | C20H28O2

(1S,9S,11S)-6-Isopropyl-12,12-dimethyl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-trien-5-ol

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID30826828

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9S,11S)-6-Isopropyl-12,12-dimethyl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-trien-5-ol [German] [ACD/IUPAC Name]
(1S,9S,11S)-6-Isopropyl-12,12-dimethyl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-trien-5-ol [ACD/IUPAC Name]
(1S,9S,11S)-6-Isopropyl-12,12-diméthyl-16-oxatétracyclo[7.6.1.01,11.03,8]hexadéca-3,5,7-trién-5-ol [French] [ACD/IUPAC Name]
4a,10-Epoxy-4aH-dibenzo[a,d]cyclohepten-7-ol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, (4aS,10S,11aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 185.0±23.0 °C
Index of Refraction: 1.576
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8262.87
ACD/KOC (pH 5.5): 22155.01
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8258.45
ACD/KOC (pH 7.4): 22143.14
Polar Surface Area: 29 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 267.8±5.0 cm3

Click to predict properties on the Chemicalize site


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