2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristate
Basic information
- CAS
68818-55-3- Standard SMILES
CCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCC- InChIKey
AURQCRBEJUZCLB-UHFFFAOYSA-N- Molecular formula
- C34H66O5
- Average molar mass
- 554.9 g/mol
- Monoisotopic mass
- 554.4910252
Names & identifiers
- Preferred name
- 2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristate
- IUPAC
- [2-(hydroxymethyl)-2-(tetradecanoyloxymethyl)butyl] tetradecanoate
- English name
- 2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristate
- Molecular formula
- C34H66O5
- Molecular weight
- 554.88484
Names & synonyms
68818-55-32-Ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristateEINECS 272-397-0SCHEMBL2701714DTXSID00218921AURQCRBEJUZCLB-UHFFFAOYSA-NNS000367032-ethyl-2-(hydroxymethyl)-propane-1,3-diol ditetradecanoate2-(Hydroxymethyl)-2-[(tetradecanoyloxy)methyl]butyl tetradecanoateBistetradecanoic acid 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester
Database identifiers
- CAS
68818-55-3- PubChem CID
- 21845366
- DTXSID
DTXSID00218921- EC Number
- 272-397-0
- Nikkaji
- J308.332B
Properties
Computed structural properties
- XLogP
- 12.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 32
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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