3-Pyridinecarboxylic acid, 2,9-diethyl-2,9-dimethyl-1,10-decanediyl ester
Basic information
- CAS
85018-72-0- Standard SMILES
CCC(C)(CCCCCCC(C)(CC)COC(=O)c1cccnc1)COC(=O)c1cccnc1- InChIKey
SKAAODHMQLCJRG-UHFFFAOYSA-N- Molecular formula
- C28H40N2O4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.29880776
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2,9-diethyl-2,9-dimethyl-1,10-decanediyl ester
- IUPAC
- [2-ethyl-2,9-dimethyl-9-(pyridine-3-carbonyloxymethyl)undecyl] pyridine-3-carboxylate
Names & synonyms
Nicotinic acid, 2,9-diethyl-2,9-dimethyldecamethylene ester85018-72-03-Pyridinecarboxylic acid, 2,9-diethyl-2,9-dimethyl-1,10-decanediyl esterRefChem:282217DTXSID9010053612-Ethyl-2,9-dimethyl-9-{[(pyridine-3-carbonyl)oxy]methyl}undecyl pyridine-3-carboxylate
Database identifiers
- CAS
85018-72-0- PubChem CID
- 3069686
- DTXSID
DTXSID901005361
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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