ChemSpider 2D Image | 2-{(1S)-1-[(1R)-3,3-Dimethylcyclohexyl]ethoxy}-2-methylpropyl propionate | C17H32O3

2-{(1S)-1-[(1R)-3,3-Dimethylcyclohexyl]ethoxy}-2-methylpropyl propionate

  • Molecular FormulaC17H32O3
  • Average mass284.434 Da
  • Monoisotopic mass284.235138 Da
  • ChemSpider ID18705387

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(±)-(2-((1R)-1-((1S)-3,3-dimethylcyclohexyl)ethoxy)-2-methyl-propyl) propanoate
141899-02-7 [RN]
1-Propanol, 2-[(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-methyl-, propanoate [ACD/Index Name]
2-{(1S)-1-[(1R)-3,3-Dimethylcyclohexyl]ethoxy}-2-methylpropyl propionate [ACD/IUPAC Name]
2-{(1S)-1-[(1R)-3,3-Dimethylcyclohexyl]ethoxy}-2-methylpropylpropionat [German] [ACD/IUPAC Name]
Propionate de 2-{(1S)-1-[(1R)-3,3-diméthylcyclohexyl]éthoxy}-2-méthylpropyle [French] [ACD/IUPAC Name]
(2-((1R)-1-((1S)-3,3-DIMETHYLCYCLOHEXYL)ETHOXY)-2-METHYL-PROPYL) PROPANOATE, (±)-
[2-[(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-methylpropyl] propanoate
[2-[(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-methyl-propyl] propanoate
141773-73-1 [RN]
More...

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

4U76J7Z2FH [DBID]
UNII:4U76J7Z2FH [DBID]
UNII-4U76J7Z2FH [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 346.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 122.9±11.9 °C
Index of Refraction: 1.450
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5513.77
ACD/KOC (pH 5.5): 16585.22
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5513.77
ACD/KOC (pH 7.4): 16585.22
Polar Surface Area: 36 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

Click to predict properties on the Chemicalize site


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