ChemSpider 2D Image | Oplodiol | C15H26O2

Oplodiol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID23340060

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,4aR,8aR)-7-Isopropyl-1,4a-diméthyl-1,2,3,4,4a,5,8,8a-octahydro-1,4-naphtalènediol [French] [ACD/IUPAC Name]
(1S,4R,4aR,8aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1,4-naphthalenediol [ACD/IUPAC Name]
(1S,4R,4aR,8aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1,4-naphthalindiol [German] [ACD/IUPAC Name]
1,4-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4R,4aR,8aR)- [ACD/Index Name]
13902-62-0 [RN]
Oplodiol
(-)-oplodiol
(1S,4R,4aR,8aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol
(1S,4R,4aR,8aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol
[1S-(1α,4α,4aα,8aβ)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol
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  • Miscellaneous

    • Chemical Class:

      A carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positio ns 1 and 4a (the 1<stereo>S</stereo>,4<stereo>R</stereo>,4a<stereo>R</stereo>,8a<stereo>R</stereo> isomer). A sesquiterpenoid plant metabolite. ChEBI CHEBI:132903
      A carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positio ns 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132903, CHEBI:132903

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

Density: 1.0±0.1 g/cm3
Boiling Point: 339.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 151.9±22.5 °C
Index of Refraction: 1.524
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.38
ACD/KOC (pH 5.5): 2061.05
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.38
ACD/KOC (pH 7.4): 2061.05
Polar Surface Area: 40 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

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