ChemSpider 2D Image | (1R,3S,4S,6S)-3,7,7-Trimethyl-4-(methylsulfanyl)bicyclo[4.1.0]heptan-3-ol | C11H20OS

(1R,3S,4S,6S)-3,7,7-Trimethyl-4-(methylsulfanyl)bicyclo[4.1.0]heptan-3-ol

  • Molecular FormulaC11H20OS
  • Average mass200.341 Da
  • Monoisotopic mass200.123489 Da
  • ChemSpider ID113598640

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,4S,6S)-3,7,7-Trimethyl-4-(methylsulfanyl)bicyclo[4.1.0]heptan-3-ol [German] [ACD/IUPAC Name]
(1R,3S,4S,6S)-3,7,7-Trimethyl-4-(methylsulfanyl)bicyclo[4.1.0]heptan-3-ol [ACD/IUPAC Name]
(1R,3S,4S,6S)-3,7,7-Triméthyl-4-(méthylsulfanyl)bicyclo[4.1.0]heptan-3-ol [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-4-(methylthio)-, (1R,3S,4S,6S)- [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: 278.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 135.7±21.3 °C
Index of Refraction: 1.536
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.44
ACD/KOC (pH 5.5): 1247.38
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.44
ACD/KOC (pH 7.4): 1247.38
Polar Surface Area: 46 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 187.2±5.0 cm3

Click to predict properties on the Chemicalize site


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