ChemSpider 2D Image | (1S,2S,5S,8S,9R)-4,4,8-Trimethyl-2-[2-(phenylsulfanyl)ethoxy]tricyclo[6.3.1.0~1,5~]dodecan-9-ol | C23H34O2S

(1S,2S,5S,8S,9R)-4,4,8-Trimethyl-2-[2-(phenylsulfanyl)ethoxy]tricyclo[6.3.1.01,5]dodecan-9-ol

  • Molecular FormulaC23H34O2S
  • Average mass374.580 Da
  • Monoisotopic mass374.227936 Da
  • ChemSpider ID31122503

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,5S,8S,9R)-4,4,8-Trimethyl-2-[2-(phenylsulfanyl)ethoxy]tricyclo[6.3.1.01,5]dodecan-9-ol [German] [ACD/IUPAC Name]
(1S,2S,5S,8S,9R)-4,4,8-Trimethyl-2-[2-(phenylsulfanyl)ethoxy]tricyclo[6.3.1.01,5]dodecan-9-ol [ACD/IUPAC Name]
(1S,2S,5S,8S,9R)-4,4,8-Triméthyl-2-[2-(phénylsulfanyl)éthoxy]tricyclo[6.3.1.01,5]dodécan-9-ol [French] [ACD/IUPAC Name]
3a,7-Methano-3aH-cyclopentacycloocten-6-ol, decahydro-1,1,7-trimethyl-3-[2-(phenylthio)ethoxy]-, (3S,3aS,6R,7S,9aS)- [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: 491.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.8±27.3 °C
Index of Refraction: 1.581
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19639.89
ACD/KOC (pH 5.5): 41173.23
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19639.89
ACD/KOC (pH 7.4): 41173.23
Polar Surface Area: 55 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

Click to predict properties on the Chemicalize site


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