ChemSpider 2D Image | (1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1,6-heptadien-3-one | C16H24O

(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1,6-heptadien-3-one

  • Molecular FormulaC16H24O
  • Average mass232.361 Da
  • Monoisotopic mass232.182709 Da
  • ChemSpider ID34987942

  • 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

(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1,6-heptadien-3-on [German] [ACD/IUPAC Name]
(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1,6-heptadien-3-one [ACD/IUPAC Name]
(1E)-1-[(1R)-2,6,6-Triméthyl-2-cyclohexén-1-yl]-1,6-heptadién-3-one [French] [ACD/IUPAC Name]
1,6-Heptadien-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)- [ACD/Index Name]
1-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]hepta-1,6-dien-3-one
201-225-9 [EINECS]
79-78-7 [RN]
ALLYL α-IONONE
UNII-8IP66F9ODG

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

ZINC02041243 [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: 313.4±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 137.6±20.8 °C
Index of Refraction: 1.514
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2083.95
ACD/KOC (pH 5.5): 8265.26
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2083.95
ACD/KOC (pH 7.4): 8265.26
Polar Surface Area: 17 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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