Basic information
- CAS
26719-63-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCC- InChIKey
UXPYIAWFQKSHNV-UHFFFAOYSA-N- Molecular formula
- C36H70O4
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 566.52741071
Names & identifiers
- Preferred name
- Hexadecanoic acid, 1,4-butanediyl ester
- IUPAC
- 4-hexadecanoyloxybutyl hexadecanoate
- English name
- Bispalmitic acid 1,4-butanediyl
- Molecular formula
- C36H70O4
- Molecular weight
- 566.94
Names & synonyms
1,4-Butanediol dipalmitateHexadecanoic acid, 1,4-butanediyl esterBRN 1809598AI3-3169826719-63-1DTXSID40181226Hexadecanoic acid, 1,4-butanediyl ester (9CI)3-02-00-00964 (Beilstein Handbook Reference)RefChem:347448DTXCID50103717UXPYIAWFQKSHNV-UHFFFAOYSA-NDi-O-palmitoylbutane-1,4-diol
Show more names
Bispalmitic acid 1,4-butanediylHexadecanoic acid, 1,1'-(1,4-butanediyl) ester
PALMITIC ACID, TETRAMETHYLENE ESTER1,4-butane-diol dipalmitateSCHEMBL17943793Butane-1,4-diyl dihexadecanoate4-(Palmitoyloxy)butyl palmitate #
Database identifiers
- CAS
26719-63-1- PubChem CID
- 33585
- DTXSID
DTXSID40181226- Nikkaji
- J108.532H
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 35
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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