ChemSpider 2D Image | (6R)-2-Methyl-6-{(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylenetetrahydro-4H-pyran-4-ylidene)ethylidene]octahydro-1H-inden-1-yl}-2-heptanol | C26H42O2

(6R)-2-Methyl-6-{(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylenetetrahydro-4H-pyran-4-ylidene)ethylidene]octahydro-1H-inden-1-yl}-2-heptanol

  • Molecular FormulaC26H42O2
  • Average mass386.611 Da
  • Monoisotopic mass386.318481 Da
  • ChemSpider ID57465263

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6R)-2-Methyl-6-{(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylenetetrahydro-4H-pyran-4-ylidene)ethylidene]octahydro-1H-inden-1-yl}-2-heptanol [ACD/IUPAC Name]
(6R)-2-Méthyl-6-{(1R,4E,7aR)-7a-méthyl-4-[(2Z)-2-(3-méthylènetétrahydro-4H-pyran-4-ylidène)éthylidène]octahydro-1H-indén-1-yl}-2-heptanol [French] [ACD/IUPAC Name]
(6R)-2-Methyl-6-{(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylentetrahydro-4H-pyran-4-yliden)ethyliden]octahydro-1H-inden-1-yl}-2-heptanol [German] [ACD/IUPAC Name]
1H-Indene-1-pentanol, octahydro-α,α,ε,7a-tetramethyl-4-[(2Z)-2-(tetrahydro-3-methylene-4H-pyran-4-ylidene)ethylidene]-, (εR,1R,4E,7aR)- [ACD/Index Name]
2-Oxa-3-deoxy-25-hydroxyvitamin D3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 502.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 205.8±22.4 °C
Index of Refraction: 1.526
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98023.48
ACD/KOC (pH 5.5): 130128.73
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98023.48
ACD/KOC (pH 7.4): 130128.73
Polar Surface Area: 29 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 386.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement