ChemSpider 2D Image | (4S,4aS,8aR)-4,8a-Dimethyl(3,4-~13~C_2_)octahydro-4a(2H)-naphthalenol | C1013C2H22O


  • Molecular FormulaC1013C2H22O
  • Average mass184.288 Da
  • Monoisotopic mass184.173782 Da
  • ChemSpider ID58782094
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aS,8aR)-4,8a-Dimethyl(3,4-13C2)octahydro-4a(2H)-naphthalenol [ACD/IUPAC Name]
(4S,4aS,8aR)-4,8a-Dimethyl(3,4-13C2)octahydro-4a(2H)-naphthalinol [German] [ACD/IUPAC Name]
4a(2H)-Naphthalenol-3,4-13C2, octahydro-4,8a-dimethyl-, (4S,4aS,8aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 184.9±3.0 cm3

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