ChemSpider 2D Image | avermitilol | C15H26O

avermitilol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID26606387

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
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(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-Tétraméthyldécahydro-1H-cyclopropa[a]naphtalén-4-ol [French] [ACD/IUPAC Name]
(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-Tetramethyldecahydro-1H-cyclopropa[a]naphthalen-4-ol [ACD/IUPAC Name]
(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-Tetramethyldecahydro-1H-cyclopropa[a]naphthalin-4-ol [German] [ACD/IUPAC Name]
1H-Cyclopropa[a]naphthalen-4-ol, decahydro-1,1,3a,7-tetramethyl-, (1aR,3aS,4S,7R,7aS,7bR)- [ACD/Index Name]
avermitilol

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

CHEBI:63702 [DBID]
  • Miscellaneous

    • Chemical Class:

      A carbotricyclic compound that consists of decahydro-1<element>H</element>-1<element>H</element>-cyclopropa[<ital>a</ital>]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as we ll as a hydroxy substituent at position 4 (the (1a<stereo>R</stereo>,3a<stereo>S</stereo>,4<stereo>S</stereo>,7<stereo>R</stereo>,7a<stereo>S</stereo>,7b<stereo>R</stereo>)-diastereomer). ChEBI CHEBI:63702
      A carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as we; ll as a hydroxy substituent at position 4 (the (1 aR,3aS,4S,7R,7aS,7bR)-diastereomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63702
      A carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as well as a hydroxy substituent at position 4 (the (1aR ,3aS,4S,7R,7aS,7bR)-diastereomer). ChEBI CHEBI:63702

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

Density: 1.0±0.1 g/cm3
Boiling Point: 293.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.9±6.0 kJ/mol
Flash Point: 123.0±10.9 °C
Index of Refraction: 1.502
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2302.96
ACD/KOC (pH 5.5): 8878.11
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2302.96
ACD/KOC (pH 7.4): 8878.11
Polar Surface Area: 20 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

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