ChemSpider 2D Image | (3R,7R)-3-Hydroxy-3,7,11-trimethyldodecanoic acid | C15H30O3

(3R,7R)-3-Hydroxy-3,7,11-trimethyldodecanoic acid

  • Molecular FormulaC15H30O3
  • Average mass258.397 Da
  • Monoisotopic mass258.219482 Da
  • ChemSpider ID34987974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7R)-3-Hydroxy-3,7,11-trimethyldodecanoic acid [ACD/IUPAC Name]
(3R,7R)-3-Hydroxy-3,7,11-trimethyldodecansäure [German] [ACD/IUPAC Name]
Acide (3R,7R)-3-hydroxy-3,7,11-triméthyldodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 3-hydroxy-3,7,11-trimethyl-, (3R,7R)- [ACD/Index Name]
7007-81-0 [RN]
TRETHOCANOIC ACID
UNII-8KVN8C4I9P

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

Density: 1.0±0.1 g/cm3
Boiling Point: 376.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 195.4±19.7 °C
Index of Refraction: 1.466
Molar Refractivity: 74.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 28.77
ACD/KOC (pH 5.5): 172.72
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 58 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

Click to predict properties on the Chemicalize site


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