ChemSpider 2D Image | IRIVERSICAL | C31H52O3

IRIVERSICAL

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID32702210

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2Z)-2-{(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylen-3,7-tridecadien-1-yl]cyclohexyliden}propanal [German] [ACD/IUPAC Name]
(2Z)-2-{(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylene-3,7-tridecadien-1-yl]cyclohexylidene}propanal [ACD/IUPAC Name]
(2Z)-2-{(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-diméthyl-3-[(3E,7E)-4,8,12-triméthyl-11-méthylène-3,7-tridécadién-1-yl]cyclohexylidène}propanal [French] [ACD/IUPAC Name]
88478-01-7 [RN]
IRIVERSICAL
Propanal, 2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylene-3,7-tridecadien-1-yl]cyclohexylidene]-, (2Z)- [ACD/Index Name]

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

3X1K7Q256V [DBID]
UNII:3X1K7Q256V [DBID]
UNII-3X1K7Q256V [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: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 318.5±26.6 °C
Index of Refraction: 1.497
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 681364.88
ACD/KOC (pH 5.5): 521318.91
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 681364.88
ACD/KOC (pH 7.4): 521318.91
Polar Surface Area: 58 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 498.4±3.0 cm3

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