Basic information
- CAS
34639-56-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCCCCCCCCCCCCCCC- InChIKey
KWRXMYLSDRSIEB-UHFFFAOYSA-N- Molecular formula
- C36H72O3
- Average molar mass
- 553 g/mol
- Monoisotopic mass
- 552.54814615
Names & identifiers
- Preferred name
- 2-Hexadecoxyethyl octadecanoate
- IUPAC
- 2-hexadecoxyethyl octadecanoate
- English name
- Octadecanoic acid 2-(hexadecyloxy)ethyl ester
- Molecular formula
- C36H72O3
- Molecular weight
- 0
Names & synonyms
2-hexadecoxyethyl octadecanoate34639-56-0DTXSID70338024RefChem:261408DTXCID00289111Octadecanoic acid 2-(hexadecyloxy)ethyl esterOctadecanoic acid, 2-(hexadecyloxy)ethyl ester2-(hexadecyloxy)ethyl octadecanoateSCHEMBL276818072-(Hexadecyloxy)ethyl stearate #KWRXMYLSDRSIEB-UHFFFAOYSA-N1-Hexadecyl-2-stearoyl ethanediol
Show more names
Reaxys ID: 2014907Stearic acid 2-(hexadecyloxy)ethyl ester
Database identifiers
- CAS
34639-56-0- PubChem CID
- 545952
- DTXSID
DTXSID70338024- Nikkaji
- J111.102G
Properties
Computed structural properties
- XLogP
- 16.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 35
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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