Trimethylolpropane 2-ethylhexanoate

HCID 21998575
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Basic information

Standard SMILES
CCC(CO)(CO)CO.CCCCC(CC)C(=O)O
InChIKey
HZNIHBVDUONNSD-UHFFFAOYSA-N
Molecular formula
C14H30O5
Average molar mass
278.38 g/mol
Monoisotopic mass
278.20932405

Names & identifiers

Preferred name
Trimethylolpropane 2-ethylhexanoate
IUPAC
2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Names & synonyms

SCHEMBL2038309HZNIHBVDUONNSD-UHFFFAOYSA-Ntrimethylolpropane 2-ethylhexanoate

Database identifiers

PubChem CID
21998575

Properties

Computed structural properties

Topological polar surface area
98 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
19

Related reactions

1 records
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Compound notes

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