ChemSpider 2D Image | (1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methyleneoctahydro-1,4a(2H)-naphthalenediol | C15H26O2

(1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methyleneoctahydro-1,4a(2H)-naphthalenediol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID25036113

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4S,4aR,8aS)-4-Isopropyl-1-méthyl-6-méthylèneoctahydro-1,4a(2H)-naphtalènediol [French] [ACD/IUPAC Name]
(1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methyleneoctahydro-1,4a(2H)-naphthalenediol [ACD/IUPAC Name]
(1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methylenoctahydro-1,4a(2H)-naphthalindiol [German] [ACD/IUPAC Name]
1,4a(2H)-Naphthalenediol, octahydro-1-methyl-6-methylene-4-(1-methylethyl)-, (1R,4S,4aR,8aS)- [ACD/Index Name]
(1R,4S,4aR,8aS)-4-Isopropyl-1-methyl-6-methylenedecahydronaphthalene-1,4a-diol
[25330-21-6] [RN]
25330-21-6 [RN]
Isocalamendiol
MFCD20274810

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

Density: 1.0±0.1 g/cm3
Boiling Point: 342.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.9±6.0 kJ/mol
Flash Point: 153.3±22.5 °C
Index of Refraction: 1.517
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.50
ACD/KOC (pH 5.5): 1080.83
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.50
ACD/KOC (pH 7.4): 1080.83
Polar Surface Area: 40 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

Click to predict properties on the Chemicalize site


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