Found 1 result

Search term: (+)-(2S,3R,9R)-pristinol (Found by synonym)

ChemSpider 2D Image | (1R,3aZ,6R,9aS)-1,4,8,8-Tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol | C15H26O

(1R,3aZ,6R,9aS)-1,4,8,8-Tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID64808723
  • 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

(1R,3aZ,6R,9aS)-1,4,8,8-Tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol [German] [ACD/IUPAC Name]
(1R,3aZ,6R,9aS)-1,4,8,8-Tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol [ACD/IUPAC Name]
(1R,3aZ,6R,9aS)-1,4,8,8-Tétraméthyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulén-6-ol [French] [ACD/IUPAC Name]
1H-Cyclopentacycloocten-6-ol, 2,3,5,6,7,8,9,9a-octahydro-1,4,8,8-tetramethyl-, (1R,3aZ,6R,9aS)- [ACD/Index Name]
(+)-(2S,3R,9R)-pristinol
(1R,6R,9aS)-1,4,8,8-tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol
  • Miscellaneous
    • Chemical Class:

      A bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1<element>H</element>-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8. ChEBI CHEBI:138165
      A bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138165

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 312.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 130.8±11.5 °C
Index of Refraction: 1.503
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3615.82
ACD/KOC (pH 5.5): 12261.93
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3615.82
ACD/KOC (pH 7.4): 12261.93
Polar Surface Area: 20 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

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