ChemSpider 2D Image | (3R)-1-Ethoxy-3,7-dimethyloctane | C12H26O

(3R)-1-Ethoxy-3,7-dimethyloctane

  • Molecular FormulaC12H26O
  • Average mass186.334 Da
  • Monoisotopic mass186.198364 Da
  • ChemSpider ID58828072

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-Ethoxy-3,7-dimethyloctan [German] [ACD/IUPAC Name]
(3R)-1-Ethoxy-3,7-dimethyloctane [ACD/IUPAC Name]
(3R)-1-Éthoxy-3,7-diméthyloctane [French] [ACD/IUPAC Name]
(R)-dihydrocitronellol ethyl ether
733046-51-0 [RN]
Octane, 1-ethoxy-3,7-dimethyl-, (3R)- [ACD/Index Name]
DIHYDROCITRONELLOL ETHYL ETHER, (R)-

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

9VY9R4PQ6R [DBID]
UNII:9VY9R4PQ6R [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 207.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 66.3±10.2 °C
Index of Refraction: 1.421
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2641.80
ACD/KOC (pH 5.5): 9794.72
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2641.80
ACD/KOC (pH 7.4): 9794.72
Polar Surface Area: 9 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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