Found 5 results

Search term: IHQUZDWCMMAOFI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4S,6S)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-2-propen-1-yl)dodecahydro-1H-phenalene | C21H31N

(1S,4S,6S)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-2-propen-1-yl)dodecahydro-1H-phenalene

  • Molecular FormulaC21H31N
  • Average mass297.478 Da
  • Monoisotopic mass297.245636 Da
  • ChemSpider ID30650084

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(1S,4S,6S)-1-Isocyano-1,4-dimethyl-7-methylen-6-(2-methyl-2-propen-1-yl)dodecahydro-1H-phenalen [German] [ACD/IUPAC Name]
(1S,4S,6S)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-2-propen-1-yl)dodecahydro-1H-phenalene [ACD/IUPAC Name]
(1S,4S,6S)-1-Isocyano-1,4-diméthyl-7-méthylène-6-(2-méthyl-2-propén-1-yl)dodécahydro-1H-phénalène [French] [ACD/IUPAC Name]
1H-Phenalene, dodecahydro-1-isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-2-propen-1-yl)-, (1S,4S,6S)- [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: 3
#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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