ChemSpider 2D Image | 3-Methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-1-penten-3-ol | C20H34O

3-Methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-1-penten-3-ol

  • Molecular FormulaC20H34O
  • Average mass290.483 Da
  • Monoisotopic mass290.260956 Da
  • ChemSpider ID64808242

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Naphthalenepropanol, α-ethenyl-1,2,3,4,4a,7,8,8a-octahydro-α,1,2,4a,5-pentamethyl-, (1R,2S,4aS,8aS)- [ACD/Index Name]
3-Méthyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]-1-pentén-3-ol [French] [ACD/IUPAC Name]
3-Methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-1-penten-3-ol [ACD/IUPAC Name]
3-Methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]-1-penten-3-ol [German] [ACD/IUPAC Name]
(+)-kolavelool
3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-1-en-3-ol
  • Miscellaneous

    • Chemical Class:

      A member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1<stereo>R</stereo>,2<stereo>S</stereo>,4a<stereo>S</stereo>,8a<stereo>S</stereo> stereoisomer; the stereochemistry at the tertiary alcohol was not determined). ChEBI CHEBI:138313
      A member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1R,2S,4aS,8aS stereoisomer; the stereochemistry at the tertiary alcohol was not ; determined). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138313
      A member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1R,2S,4aS,8aS stereoisomer; the stereochemistry at the tertiary alcohol was not determined). ChEBI CHEBI:138313

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

Density: 0.9±0.1 g/cm3
Boiling Point: 367.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.1±6.0 kJ/mol
Flash Point: 117.9±15.6 °C
Index of Refraction: 1.485
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 49919.79
ACD/KOC (pH 5.5): 80279.63
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 49919.79
ACD/KOC (pH 7.4): 80279.63
Polar Surface Area: 20 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

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