ChemSpider 2D Image | (1R,3aR,4R,8aS)-4-Isocyano-1-isopropyl-3a,7-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulene | C16H25N

(1R,3aR,4R,8aS)-4-Isocyano-1-isopropyl-3a,7-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulene

  • Molecular FormulaC16H25N
  • Average mass231.376 Da
  • Monoisotopic mass231.198700 Da
  • ChemSpider ID35517089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3aR,4R,8aS)-4-Isocyano-1-isopropyl-3a,7-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen [German] [ACD/IUPAC Name]
(1R,3aR,4R,8aS)-4-Isocyano-1-isopropyl-3a,7-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulene [ACD/IUPAC Name]
(1R,3aR,4R,8aS)-4-Isocyano-1-isopropyl-3a,7-diméthyl-1,2,3,3a,4,5,6,8a-octahydroazulène [French] [ACD/IUPAC Name]
Azulene, 1,2,3,3a,4,5,6,8a-octahydro-4-isocyano-3a,7-dimethyl-1-(1-methylethyl)-, (1R,3aR,4R,8aS)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 4 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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