Basic information
- CAS
94313-99-2- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1- InChIKey
GKFRQFYVSXXTFY-UHFFFAOYSA-N- Molecular formula
- C21H36N2O4
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.26750763
Names & identifiers
- Preferred name
- Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
- IUPAC
- hexadecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
- English name
- hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
- Molecular formula
- C21H36N2O4
- Molecular weight
- 380.52154
Names & synonyms
Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate94313-99-2EINECS 304-999-7hexadecyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateSCHEMBL7183176DTXSID70241423GKFRQFYVSXXTFY-UHFFFAOYSA-NNS00040383EINECS 304-999-7, CID216233, Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate, 94313-99-2hexadecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid hexadecyl ester
Database identifiers
- CAS
94313-99-2- PubChem CID
- 216233
- DTXSID
DTXSID70241423- EC Number
- 304-999-7
- Nikkaji
- J326.488B
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…