Tert-butyl 3-hexadecanoyloxyoctadecanoate

HCID 20216792

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)OC(C)(C)C
InChIKey: YAYNHFGUPWZGEU-UHFFFAOYSA-N
Molecular formula: C38H74O4
Average molar mass: 595 g/mol
Monoisotopic mass: 594.55871084

Names & identifiers

Preferred name: Tert-butyl 3-hexadecanoyloxyoctadecanoate
IUPAC: tert-butyl 3-hexadecanoyloxyoctadecanoate

Names & synonyms

SCHEMBL10800244YAYNHFGUPWZGEU-UHFFFAOYSA-Ntert-butyl 3-hexadecanoyloxyoctadecanoate

Database identifiers

PubChem CID: 20216792

Properties

Computed structural properties

XLogP: 16.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 34
Heavy atoms: 42
Formal charge: 0
Complexity: 594

Related reactions

7 records

New reaction record

HRID 191355As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 236475As productuspto-grants-1987_02

HRID 236476As reactantuspto-grants-1987_02

HRID 236491As reactantuspto-grants-1987_02

HRID 319946As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1120954As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1903520As productuspto-grants-1984_03

Compound notes

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