2,6-Dimethylheptan-2-yl 4-oxodecanoate

HCID 53701692
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Basic information

Standard SMILES
CCCCCCC(=O)CCC(=O)OC(C)(C)CCCC(C)C
InChIKey
BUIQYRMXTZBRTB-UHFFFAOYSA-N
Molecular formula
C19H36O3
Average molar mass
312.5 g/mol
Monoisotopic mass
312.26644501

Names & identifiers

Preferred name
2,6-Dimethylheptan-2-yl 4-oxodecanoate
IUPAC
2,6-dimethylheptan-2-yl 4-oxodecanoate

Names & synonyms

SCHEMBL5186531

Database identifiers

PubChem CID
53701692

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
22

Related reactions

2 records
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Compound notes

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