ChemSpider 2D Image | 2-[(1R,3aR,5E,9E,12aS)-3a,6,10-Trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]-2-propanol | C20H34O

2-[(1R,3aR,5E,9E,12aS)-3a,6,10-Trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]-2-propanol

  • Molecular FormulaC20H34O
  • Average mass290.483 Da
  • Monoisotopic mass290.260956 Da
  • ChemSpider ID64808239

  • 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

1-Cyclopentacycloundecenemethanol, 1,2,3,3a,4,7,8,11,12,12a-decahydro-α,α,3a,6,10-pentamethyl-, (1R,3aR,5E,9E,12aS)- [ACD/Index Name]
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-Trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]-2-propanol [German] [ACD/IUPAC Name]
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-Trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]-2-propanol [ACD/IUPAC Name]
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-Triméthyl-1,2,3,3a,4,7,8,11,12,12a-décahydrocyclopenta[11]annulén-1-yl]-2-propanol [French] [ACD/IUPAC Name]
(1R,3E,7E,11S,12R)-dolabella-3,7-diene-18-ol
(3E,7E)-dolabella-3,7-dien-18-ol
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-ol
  • Miscellaneous

    • Chemical Class:

      A tricyclic diterpene with formula C<smallsub>20</smallsub>H<smallsub>32</smallsub> which is produced by a diterpene cyclase gene expressed in roots of <ital>Arabidopsis</ital>. ChEBI CHEBI:137565
      A tricyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in roots of Arabidopsis. ChEBI CHEBI:137565

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

Density: 0.9±0.1 g/cm3
Boiling Point: 386.5±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: 128.1±15.6 °C
Index of Refraction: 1.491
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43637.43
ACD/KOC (pH 5.5): 72911.15
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43637.43
ACD/KOC (pH 7.4): 72911.15
Polar Surface Area: 20 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

Click to predict properties on the Chemicalize site


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