ChemSpider 2D Image | (1S,7R,9S)-10,13,13-Trimethyl-3-oxatricyclo[7.2.2.0~2,6~]trideca-2(6),4,10-trien-7-ol | C15H20O2

(1S,7R,9S)-10,13,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-7-ol

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID35516616

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,7R,9S)-10,13,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-7-ol [German] [ACD/IUPAC Name]
(1S,7R,9S)-10,13,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-7-ol [ACD/IUPAC Name]
(1S,7R,9S)-10,13,13-Triméthyl-3-oxatricyclo[7.2.2.02,6]tridéca-2(6),4,10-trién-7-ol [French] [ACD/IUPAC Name]
6,9-Ethanocycloocta[b]furan-4-ol, 4,5,6,9-tetrahydro-7,11,11-trimethyl-, (4R,6S,9S)- [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: 266.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 115.1±21.8 °C
Index of Refraction: 1.528
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 455.74
ACD/KOC (pH 5.5): 2784.29
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 455.74
ACD/KOC (pH 7.4): 2784.29
Polar Surface Area: 33 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 217.7±3.0 cm3

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