ChemSpider 2D Image | cis-muurola-3,5-diene | C15H24

cis-muurola-3,5-diene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID26332323

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,4R,4aS)-1-Isopropyl-4,7-diméthyl-1,2,3,4,4a,5-hexahydronaphtalène [French] [ACD/IUPAC Name]
(1R,4R,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene [ACD/IUPAC Name]
(1R,4R,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalin [German] [ACD/IUPAC Name]
cis-muurola-3,5-diene
Naphthalene, 1,2,3,4,4a,5-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,4R,4aS)- [ACD/Index Name]
(1R,4R,4aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5-hexahydronaphthalene
cis-muurola-3,5-diene
  • Miscellaneous

    • Chemical Class:

      A carbobicyclic compound that is 1,2,3,4,4a,5-hexahydronaphthalene which is substituted at position 1 by a propan-2-yl group and at positions 4 and 7 by methyl groups (the 1<stereo>R</stereo>,4<stereo >R</stereo>,4a<stereo>S</stereo>-diastereoisomer). ChEBI CHEBI:61687
      A carbobicyclic compound that is 1,2,3,4,4a,5-hexahydronaphthalene which is substituted at position 1 by a propan-2-yl group and at positions 4 and 7 by methyl groups (the 1R,4R,4aS-diastereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61687, CHEBI:61687

    • Compound Source:

      cis-calamenene related sesquiterpenoids biosynthesis PlantCyc CPD-10707
      Linum usitatissimum PlantCyc CPD-10707
      Mimulus guttatus PlantCyc CPD-10707
      Salvia miltiorrhiza PlantCyc CPD-10707

    • Bio Activity:

      (2E,6E)-farnesyl diphosphate -> cis-muurola-3,5-diene + diphosphate PlantCyc CPD-10707

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

Density: 0.9±0.1 g/cm3
Boiling Point: 280.7±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.9±0.8 kJ/mol
Flash Point: 111.0±13.0 °C
Index of Refraction: 1.498
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27146.71
ACD/KOC (pH 5.5): 51908.68
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27146.71
ACD/KOC (pH 7.4): 51908.68
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 227.3±5.0 cm3

Click to predict properties on the Chemicalize site


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