2-Hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl 4-chloroformyl-3,3-dimethylbutyrate

HCID 23322901
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC(C)(C)CC(=O)Cl
InChIKey
NNOFTUJBCLFSQN-UHFFFAOYSA-N
Molecular formula
C42H77ClO7
Average molar mass
729.5 g/mol
Monoisotopic mass
728.5357825

Names & identifiers

Preferred name
2-Hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl 4-chloroformyl-3,3-dimethylbutyrate
IUPAC
[2-(5-chloro-3,3-dimethyl-5-oxopentanoyl)oxy-3-hexadecanoyloxypropyl] hexadecanoate

Names & synonyms

SCHEMBL10884074NNOFTUJBCLFSQN-UHFFFAOYSA-N2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl 4-chloroformyl-3,3-dimethylbutyrate

Database identifiers

PubChem CID
23322901

Properties

Computed structural properties

XLogP
16.2
Topological polar surface area
96 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
40
Heavy atoms
50

Related reactions

2 records
New reaction record

Linked notes

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