Barbituric acid, 5-methyl-5-(3-methyl-2-butenyl)-
Basic information
- CAS
66843-01-4- Standard SMILES
CC(C)=CCC1(C)C(=O)NC(=O)NC1=O- InChIKey
CVWHRDJDXCEZGH-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-methyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
BRN 01739845-Methyl-5-(3-methyl-2-butenyl)barbituric acid66843-01-4BARBITURIC ACID, 5-METHYL-5-(3-METHYL-2-BUTENYL)-DTXSID20216969Acide 5-(gamma,gamma-dimethyl-allyl) 5-methyl barbiturique [French]4-24-00-01987 (Beilstein Handbook Reference)Acide 5-(gamma,gamma-dimethyl-allyl) 5-methyl barbituriqueRefChem:320864DTXCID00139460SCHEMBL4378490SCHEMBL4378492
Show more names
5-Methyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(3-methyl-2-buten-1-yl)-
5-METHYL-5-(3-METHYLBUT-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE5-methyl-5-(3-methylbut-2-enyl)barbiturate
Database identifiers
- CAS
66843-01-4- PubChem CID
- 48156
- DTXSID
DTXSID20216969- Nikkaji
- J105.737E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
LogP1.17
Physicochemical properties
- Boiling point
- 349.75 °C · 349.75°C (rough estimate)
- Density
- 1.2056 · 1.2056 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- Water Solubility
- 526.2 mg/L · 526.2mg/L(25 ºC)
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Compound notes
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