1,3-Bis(methoxymethyl)-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
31164-82-6- Standard SMILES
C=CCC1(C(C)CCC)C(=O)N(COC)C(=O)N(COC)C1=O- InChIKey
MRMGFENVCXUPLL-UHFFFAOYSA-N- Molecular formula
- C16H26N2O5
- Average molar mass
- 326.39 g/mol
- Monoisotopic mass
- 326.18417193
Names & identifiers
- Preferred name
- 1,3-Bis(methoxymethyl)-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 1,3-bis(methoxymethyl)-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
31164-82-6DTXSID709532511,3-BIS(METHOXYMETHYL)-5-(PENTAN-2-YL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONERefChem:1052729DTXCID9013813075-Allyl-1,3-bis(methoxymethyl)-5-(1-methylbutyl)barbituric acidBRN 07615651,3-Dimethoxymethyl-5-allyl-5-(2-pentyl)barbituric acidBARBITURIC ACID, 5-ALLYL-1,3-BIS(METHOXYMETHYL)-5-(1-METHYLBUTYL)-
Database identifiers
- CAS
31164-82-6- PubChem CID
- 35747
- DTXSID
DTXSID70953251
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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