ChemSpider 2D Image | (4S,4aR,8aS)-4-[(3S)-3-Hydroxy-3-methyl-4-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-1-naphthalenol | C20H34O2

(4S,4aR,8aS)-4-[(3S)-3-Hydroxy-3-methyl-4-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-1-naphthalenol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID23254469

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4S,4aR,8aS)-4-[(3S)-3-Hydroxy-3-methyl-4-penten-1-yl]-4a,8,8-trimethyl-3-methylendecahydro-1-naphthalinol [German] [ACD/IUPAC Name]
(4S,4aR,8aS)-4-[(3S)-3-Hydroxy-3-méthyl-4-pentén-1-yl]-4a,8,8-triméthyl-3-méthylènedécahydro-1-naphtalénol [French] [ACD/IUPAC Name]
(4S,4aR,8aS)-4-[(3S)-3-Hydroxy-3-methyl-4-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-1-naphthalenol [ACD/IUPAC Name]
(4S,4aR,8aS)-4-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-4a,8,8-trimethyl-3-methylidenedecahydronaphthalen-1-ol
1-Naphthalenepropanol, α-ethenyldecahydro-4-hydroxy-α,5,5,8a-tetramethyl-2-methylene-, (αS,1S,4aS,8aR)- [ACD/Index Name]
labda-8(20),14-Diene-6,13-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 405.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 174.2±16.4 °C
Index of Refraction: 1.515
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2679.63
ACD/KOC (pH 5.5): 9894.89
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2679.63
ACD/KOC (pH 7.4): 9894.89
Polar Surface Area: 40 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 308.3±5.0 cm3

Click to predict properties on the Chemicalize site


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