ChemSpider 2D Image | (3R,4aR,6R,8aS)-3-Chloro-1,1,6-trimethyloctahydro-4a(2H)-naphthalenol | C13H23ClO

(3R,4aR,6R,8aS)-3-Chloro-1,1,6-trimethyloctahydro-4a(2H)-naphthalenol

  • Molecular FormulaC13H23ClO
  • Average mass230.774 Da
  • Monoisotopic mass230.143738 Da
  • ChemSpider ID30658523

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4aR,6R,8aS)-3-Chlor-1,1,6-trimethyloctahydro-4a(2H)-naphthalinol [German] [ACD/IUPAC Name]
(3R,4aR,6R,8aS)-3-Chloro-1,1,6-triméthyloctahydro-4a(2H)-naphtalénol [French] [ACD/IUPAC Name]
(3R,4aR,6R,8aS)-3-Chloro-1,1,6-trimethyloctahydro-4a(2H)-naphthalenol [ACD/IUPAC Name]
4a(2H)-Naphthalenol, 3-chlorooctahydro-1,1,6-trimethyl-, (3R,4aR,6R,8aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 309.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 140.7±23.2 °C
Index of Refraction: 1.505
Molar Refractivity: 64.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 526.82
ACD/KOC (pH 5.5): 3088.63
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 526.82
ACD/KOC (pH 7.4): 3088.63
Polar Surface Area: 20 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 217.4±5.0 cm3

Click to predict properties on the Chemicalize site


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