ChemSpider 2D Image | (1R,4R)-4-{(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-4,8,13,17-tetramethyl-1,3,5,7,10,12,14,16,18-nonadecanonaen-1-yl}-3,5,5-trimethyl-2-cyclohexen-1-ol | C41H58O2

(1R,4R)-4-{(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-4,8,13,17-tetramethyl-1,3,5,7,10,12,14,16,18-nonadecanonaen-1-yl}-3,5,5-trimethyl-2-cyclohexen-1-ol

  • Molecular FormulaC41H58O2
  • Average mass582.898 Da
  • Monoisotopic mass582.443665 Da
  • ChemSpider ID59700193

  • 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

(1R,4R)-4-{(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-4,8,13,17-tetramethyl-1,3,5,7,10,12,14,16,18-nonadecanonaen-1-yl}-3,5,5-trimethyl-2-cyclohexen-1-ol [German] [ACD/IUPAC Name]
(1R,4R)-4-{(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-4,8,13,17-tetramethyl-1,3,5,7,10,12,14,16,18-nonadecanonaen-1-yl}-3,5,5-trimethyl-2-cyclohexen-1-ol [ACD/IUPAC Name]
(1R,4R)-4-{(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-Hydroxy-2,6,6-triméthyl-1-cyclohexén-1-yl]-4,8,13,17-tétraméthyl-1,3,5,7,10,12,14,16,18-nonadécanonaén-1-yl}-3,5,5-triméthyl-2-cyclohexén-1-ol [French] [ACD/IUPAC Name]
2-Cyclohexen-1-ol, 4-[(1E,3E,5E,7Z,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-4,8,13,17-tetramethyl-1,3,5,7,10,12,14,16,18-nonadecanonaen-1-yl]-3,5,5-trimethyl-, (1R,4R )- [ACD/Index Name]
(13'Z,3R,3'R,6'R)-Lutein
(3R,3'R,6'R,13'Z)-β,ε-Carotene-3,3'-diol
Neolutein A'

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

Density: 1.0±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 268.4±27.5 °C
Index of Refraction: 1.579
Molar Refractivity: 193.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.31
ACD/LogD (pH 5.5): 10.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 76.8±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 582.6±3.0 cm3

Click to predict properties on the Chemicalize site


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