Barbituric acid, 1-(4-hydroxycyclohexyl)-5-pentyl-, acetate (ester)
Basic information
- CAS
4394-22-3- Standard SMILES
CCCCCC1C(=O)NC(=O)N(C2CCC(OC(C)=O)CC2)C1=O- InChIKey
TVOSRCWHNOKHEY-UHFFFAOYSA-N- Molecular formula
- C17H26N2O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.18417193
Names & identifiers
- Preferred name
- Barbituric acid, 1-(4-hydroxycyclohexyl)-5-pentyl-, acetate (ester)
- IUPAC
- [4-(2,4,6-trioxo-5-pentyl-1,3-diazinan-1-yl)cyclohexyl] acetate
- English name
- 1-(4-Acetyloxycyclohexyl)-5-pentylbarbituric acid
- Molecular weight
- 0
Names & synonyms
4394-22-3Barbituric acid, 1-(4-hydroxycyclohexyl)-5-pentyl-, acetate (ester)RefChem:1077493BRN 07087431-(4-Acetyloxycyclohexyl)-5-pentylbarbituric acid1-(4-Hydroxycyclohexyl)-5-pentylbarbituric acid acetate (ester)DTXSID809631494-(4-Hydroxy-2,6-dioxo-5-pentyl-5,6-dihydropyrimidin-1(2H)-yl)cyclohexyl acetate
Database identifiers
- CAS
4394-22-3- PubChem CID
- 199551
- DTXSID
DTXSID80963149- Nikkaji
- J62.465I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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