ChemSpider 2D Image | (3R)-3,7-Dimethyl-6-octen-1-yl (2E)-2-methyl-2-butenoate | C15H26O2

(3R)-3,7-Dimethyl-6-octen-1-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID30771723

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3R)-3,7-diméthyl-6-octén-1-yle [French] [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-6-octen-1-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-6-octen-1-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3R)-3,7-dimethyl-6-octen-1-yl ester, (2E)- [ACD/Index Name]
246-426-2 [EINECS]
24717-85-9 [RN]
CITRONELLYL 2-METHYLBUT-2-ENOATE, (2E)-
UNII-W3KE673ROS
Z-Citronellyl tiglate

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 313.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.2±13.2 °C
Index of Refraction: 1.460
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4139.15
ACD/KOC (pH 5.5): 13507.61
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4139.15
ACD/KOC (pH 7.4): 13507.61
Polar Surface Area: 26 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 28.7±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement