Found 5162 results

Search term: MF = 'C_{21}H_{31}N'
ChemSpider 2D Image | (1S,3aR,4S,6S,6aS,9aR,9bS)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-1-propen-1-yl)dodecahydro-1H-phenalene | C21H31N

(1S,3aR,4S,6S,6aS,9aR,9bS)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-1-propen-1-yl)dodecahydro-1H-phenalene

  • Molecular FormulaC21H31N
  • Average mass297.478 Da
  • Monoisotopic mass297.245636 Da
  • ChemSpider ID27025740

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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(1S,3aR,4S,6S,6aS,9aR,9bS)-1-Isocyano-1,4-dimethyl-7-methylen-6-(2-methyl-1-propen-1-yl)dodecahydro-1H-phenalen [German] [ACD/IUPAC Name]
(1S,3aR,4S,6S,6aS,9aR,9bS)-1-Isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-1-propen-1-yl)dodecahydro-1H-phenalene [ACD/IUPAC Name]
(1S,3aR,4S,6S,6aS,9aR,9bS)-1-Isocyano-1,4-diméthyl-7-méthylène-6-(2-méthyl-1-propén-1-yl)dodécahydro-1H-phénalène [French] [ACD/IUPAC Name]
1H-Phenalene, dodecahydro-1-isocyano-1,4-dimethyl-7-methylene-6-(2-methyl-1-propen-1-yl)-, (1S,3aR,4S,6S,6aS,9aR,9bS)- [ACD/Index Name]
(1S,3S,3aR,6S,6aR,9aS,9bS)-6-isocyano-3,6-dimethyl-9-methylidene-1-(2-methylprop-1-enyl)-2,3,3a,4,5,6a,7,8,9a,9b-decahydro-1H-phenalene

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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