Basic information
- CAS
4101-98-8- Standard SMILES
CCCCCCCCC1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O- InChIKey
VJWDELPKRRZFTM-UHFFFAOYSA-N- Molecular formula
- C18H30N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.22055744
Names & identifiers
- Preferred name
- Barbituric acid, 1-(4-hydroxycyclohexyl)-5-octyl-
- IUPAC
- 1-(4-hydroxycyclohexyl)-5-octyl-1,3-diazinane-2,4,6-trione
- English name
- 1-(4-Hydroxycyclohexyl)-5-octylbarbituric acid
- Molecular weight
- 0
Names & synonyms
4101-98-8BARBITURIC ACID, 1-(4-HYDROXYCYCLOHEXYL)-5-OCTYL-RefChem:10774911-(4-Hydroxycyclohexyl)-5-octylbarbituric acidBRN 0762238DTXSID509613796-Hydroxy-3-(4-hydroxycyclohexyl)-5-octylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
4101-98-8- PubChem CID
- 20053
- DTXSID
DTXSID50961379- Nikkaji
- J62.463B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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