ChemSpider 2D Image | tuberculosinol | C20H34O

tuberculosinol

  • Molecular FormulaC20H34O
  • Average mass290.483 Da
  • Monoisotopic mass290.260956 Da
  • ChemSpider ID21865738

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-3-Méthyl-5-[(1R,2S,8aS)-1,2,5,5-tétraméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]-2-pentén-1-ol [French] [ACD/IUPAC Name]
(2E)-3-Methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-penten-1-ol [ACD/IUPAC Name]
(2E)-3-Methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]-2-penten-1-ol [German] [ACD/IUPAC Name]
2-Penten-1-ol, 3-methyl-5-[(1R,2S,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]-, (2E)- [ACD/Index Name]
tuberculosinol
(+)-5(6),13-halimadiene-15-ol
(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-ol
halima-5,6-dien-15-ol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 386.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 128.0±15.6 °C
Index of Refraction: 1.510
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41854.37
ACD/KOC (pH 5.5): 70766.04
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41854.37
ACD/KOC (pH 7.4): 70766.04
Polar Surface Area: 20 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 35.3±5.0 dyne/cm
Molar Volume: 305.8±5.0 cm3

Click to predict properties on the Chemicalize site


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