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Home> Encyclopedia > Hot Product Listed 2   > 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propen-1-yl)-
9083-35-6 structure

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propen-1-yl)-

CAS No.:9083-35-6
Molecular Weight:299.257941
Molecular Formula:C29H48O5 (isomer)
Names and Identifiers
Synonyms

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propenyl)- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propenyl)- (9CI) 5-(cyclopent-2-en-1-yl)-1-methyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione 5-allyl-5-(2-cyclopentenyl)-1-methylbarbituric acid 5-cyclopent-2-en-1-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione AC1L2I43 barbituric acid, 5-allyl-5-(2-cyclopentenyl)-1-methyl- brn 0257117 CTK8J8503 LS-23704 methylcyclopal n-methylcyclopentobarbital

Inchi
InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1
InChkey
RYCNUMLMNKHWPZ-SNVBAGLBSA-N
Canonical Smiles
CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Isomers Smiles
CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Properties
Density
1.687
Boiling Point
445.2°C at 760 mmHg
Flash Point
48.5°C
Computational chemical data
  • Molecular Weight:299.257941g/mol
  • Molecular Formula:C29H48O5
  • Exact Mass:299.113389
  • Monoisotopic Mass:299.113389
  • Complexity:320
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:105
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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