ChemSpider 2D Image | (2R)-2-Hydroxypropyl (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl carbonate | C14H26O4

(2R)-2-Hydroxypropyl (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl carbonate

  • Molecular FormulaC14H26O4
  • Average mass258.354 Da
  • Monoisotopic mass258.183105 Da
  • ChemSpider ID34994990

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxypropyl (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl carbonate [ACD/IUPAC Name]
(2R)-2-Hydroxypropyl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (2R)-2-hydroxypropyle et de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Carbonic acid, (2R)-2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
260781-16-6 [RN]
30304-82-6 [RN]
MENTHOL 1-PROPYLENE GLYCOL CARBONATE, (-)-
MENTHOL PROPYLENE GLYCOL CARBONATE, (-)-
UNII-2WL8FX4EEZ
UNII-WC8O09V84K

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

Density: 1.0±0.1 g/cm3
Boiling Point: 366.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 127.7±15.6 °C
Index of Refraction: 1.469
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.37
ACD/KOC (pH 5.5): 1951.40
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.37
ACD/KOC (pH 7.4): 1951.40
Polar Surface Area: 56 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 35.8±5.0 dyne/cm
Molar Volume: 250.9±5.0 cm3

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