3-Cyclohexyl-6-hydroxy-5-octylpyrimidine-2,4(3H,5H)-dione
Basic information
- CAS
4256-26-2- Standard SMILES
CCCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
ADMXJQOJLRCZDT-UHFFFAOYSA-N- Molecular formula
- C18H30N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.22564282
Names & identifiers
- Preferred name
- 3-Cyclohexyl-6-hydroxy-5-octylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-octyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C18H30N2O3
- Molecular weight
- 322.44
Names & synonyms
4256-26-2DTXSID009625583-Cyclohexyl-6-hydroxy-5-octylpyrimidine-2,4(3H,5H)-dioneRefChem:1067668DTXCID5013903581-Cyclohexyl-5-octylbarbituric acidBRN 07600851-Cyclohexyl-5-octyl-2,4,6(1H,3H,5H)-pyrimidinetrioneBARBITURIC ACID, 1-CYCLOHEXYL-5-OCTYL-2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-octyl-SCHEMBL1426458
Database identifiers
- CAS
4256-26-2- PubChem CID
- 20255
- DTXSID
DTXSID00962558- Nikkaji
- J14.476B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 5 · 5+-.0.40(Predicted)
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Related reactions
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Compound notes
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