Found 4 results

Search term: ANJWCUOTPXGMEY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxy-2-decanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol | C33H56O3

(1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxy-2-decanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol

  • Molecular FormulaC33H56O3
  • Average mass500.796 Da
  • Monoisotopic mass500.422943 Da
  • ChemSpider ID20143887

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxy-2-decanyl]-7a-methyloctahydro-4H-inden-4-yliden}ethyliden]-4-methylen-1,3-cyclohexandiol [German] [ACD/IUPAC Name]
(1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxy-2-decanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol [ACD/IUPAC Name]
(1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxy-2-décanyl]-7a-méthyloctahydro-4H-indén-4-ylidène}éthylidène]-4-méthylène-1,3-cyclohexanediol [French] [ACD/IUPAC Name]
(1R,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-Butyl-6-hydroxydecan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylenecyclohexane-1,3-diol (non-preferred name)
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-butyl-5-hydroxy-1-methylnonyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,5Z)- [ACD/Index Name]
1,25-dihydroxy-26,27-dipropylcholecalciferol
106372-51-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 249.5±26.1 °C
Index of Refraction: 1.535
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 999120.94
ACD/KOC (pH 5.5): 685638.69
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 999120.94
ACD/KOC (pH 7.4): 685638.69
Polar Surface Area: 61 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 488.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement