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Basic information
- CAS
51238-94-9- Standard SMILES
CCCCOC(=O)CCCCCC(=O)OCCCC- InChIKey
IQYKLRJIMOPPKB-UHFFFAOYSA-N- Molecular formula
- C15H28O4
- Average molar mass
- 272.38 g/mol
- Monoisotopic mass
- 272.19875937
Names & identifiers
- Preferred name
- Dibutyl pimelate
- IUPAC
- dibutyl heptanedioate
Names & synonyms
Dibutyl pimelateHeptanedioic acid, dibutyl ester51238-94-9heptanedioic acid dibutyl esterdibutyl heptanedioatePimelinsaure-n-dibutylesterSCHEMBL10623365DTXSID70286339NSC44890NSC52559NSC-44890NSC-52559
Show more names
Q63408925
Database identifiers
- CAS
51238-94-9- PubChem CID
- 239607
- DTXSID
DTXSID70286339- Nikkaji
- J46.711A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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