ChemSpider 2D Image | trans-mercapto-p-menthan-3-one | C10H18OS

trans-mercapto-p-menthan-3-one

  • Molecular FormulaC10H18OS
  • Average mass186.314 Da
  • Monoisotopic mass186.107834 Da
  • ChemSpider ID32699136

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-2-Isopropyl-5-methyl-5-sulfanylcyclohexanon [German] [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-5-methyl-5-sulfanylcyclohexanone [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-5-méthyl-5-sulfanylcyclohexanone [French] [ACD/IUPAC Name]
32637-92-6 [RN]
Cyclohexanone, 5-mercapto-5-methyl-2-(1-methylethyl)-, (2S,5R)- [ACD/Index Name]
trans-mercapto-p-menthan-3-one
29725-66-4 [RN]
MERCAPTO-P-MENTHAN-3-ONE
MERCAPTO-P-MENTHAN-3-ONE, TRANS-
UNII-A451PTS4VT

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

AYR58U6FWN [DBID]
UNII:AYR58U6FWN [DBID]
UNII-AYR58U6FWN [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 261.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 111.9±25.4 °C
Index of Refraction: 1.488
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.63
ACD/KOC (pH 5.5): 820.17
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.49
ACD/KOC (pH 7.4): 818.77
Polar Surface Area: 56 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 33.0±5.0 dyne/cm
Molar Volume: 188.4±5.0 cm3

Click to predict properties on the Chemicalize site


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