Didodecyl 2,6-dimethyl-3,5-pyridinedicarboxylate
Basic information
- CAS
57582-77-1- Standard SMILES
CCCCCCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCCCCCC)c(C)nc1C- InChIKey
QVCJHHKVRSSUBA-UHFFFAOYSA-N- Molecular formula
- C33H57NO4
- Average molar mass
- 531.8 g/mol
- Monoisotopic mass
- 531.4287593
Names & identifiers
- Preferred name
- Didodecyl 2,6-dimethyl-3,5-pyridinedicarboxylate
- IUPAC
- didodecyl 2,6-dimethylpyridine-3,5-dicarboxylate
Names & synonyms
JS372HGX0HDidodecyl 2,6-dimethyl-3,5-pyridinedicarboxylate57582-77-13,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-didodecyl esterdidodecyl 2,6-dimethylpyridine-3,5-dicarboxylateUNII-JS372HGX0HSTK290951AKOS005427993
Database identifiers
- CAS
57582-77-1- PubChem CID
- 4387246
- UNII
- JS372HGX0H
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 533
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Compound notes
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