Dibutyl 3-methylpentanedioate
Basic information
- CAS
56051-60-6- Standard SMILES
CCCCOC(=O)CC(C)CC(=O)OCCCC- InChIKey
RTHAXUPRXCUHAL-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- Dibutyl 3-methylpentanedioate
- IUPAC
- dibutyl 3-methylpentanedioate
- English name
- 3-Methylpentanedioic acid dibutyl ester
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
Dibutyl 3-methyphenanedioate56051-60-63-methyl-pentanedioic acid dibutyl esterDibutyl 3-methylpentanedioatePentanedioic acid, 3-methyl-, dibutyl esterDibutyl 3-methylpentanedioate #SCHEMBL28117429DTXSID20204604RTHAXUPRXCUHAL-UHFFFAOYSA-N3-Methylpentanedioic acid dibutyl esterPentanedioic acid, 3-methyl-, 1,5-dibutyl ester
Database identifiers
- CAS
56051-60-6- PubChem CID
- 41695
- DTXSID
DTXSID20204604- Nikkaji
- J127.935A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
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Compound notes
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