2-Pyridinecarboxylic acid, 5-(phenylmethyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
Basic information
- CAS
85446-76-0- Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(Cc3ccccc3)cn1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
OOUXYQLJVWDYFC-UHFFFAOYSA-N- Molecular formula
- C42H59NO3
- Average molar mass
- 625.9 g/mol
- Monoisotopic mass
- 625.44949474
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 5-(phenylmethyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-benzylpyridine-2-carboxylate
Names & synonyms
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester85446-76-0RefChem:1064668dl-alpha-Tocopheryl 5-benzylpicolinateDTXSID3010059752,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-benzylpyridine-2-carboxylate
Database identifiers
- CAS
85446-76-0- PubChem CID
- 3069871
- DTXSID
DTXSID301005975
Properties
Computed structural properties
- XLogP
- 13.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 884
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Compound notes
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