ChemSpider 2D Image | (+)-Tau-muurolol | C15H26O

(+)-Tau-muurolol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID26606389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(+)-Tau-muurolol
(1R,4R,4aS,8aR)-4-Isopropyl-1,6-diméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalénol [French] [ACD/IUPAC Name]
(1R,4R,4aS,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol [ACD/IUPAC Name]
(1R,4R,4aS,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinol [German] [ACD/IUPAC Name]
1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R,4aS,8aR)- [ACD/Index Name]
(+)-T-muurolol
(1R,4R,4aS,8aR)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol

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

CHEBI:63704 [DBID]
  • Miscellaneous

    • Chemical Class:

      A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1<stereo>R</stereo>,4<stereo>R</stereo>,4a<s tereo>S</stereo>,8a<stereo>R</stereo>)-configuration. ChEBI CHEBI:63704
      A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1R,4R,4aS,8aR)-configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63704, CHEBI:63704

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

Density: 0.9±0.1 g/cm3
Boiling Point: 303.4±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.1±6.0 kJ/mol
Flash Point: 128.3±17.1 °C
Index of Refraction: 1.490
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2141.84
ACD/KOC (pH 5.5): 8428.96
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2141.84
ACD/KOC (pH 7.4): 8428.96
Polar Surface Area: 20 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

Click to predict properties on the Chemicalize site


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