Benzyl hydrogen 3,3-dimethylglutarate

HCID 23322892
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Basic information

Standard SMILES
CC(C)(CC(=O)O)CC(=O)OCc1ccccc1
InChIKey
VWVNLSISWBLEGH-UHFFFAOYSA-N
Molecular formula
C14H18O4
Average molar mass
250.29 g/mol

Names & identifiers

Preferred name
Benzyl hydrogen 3,3-dimethylglutarate
IUPAC
3,3-dimethyl-5-oxo-5-phenylmethoxypentanoic acid

Names & synonyms

SCHEMBL10885792VWVNLSISWBLEGH-UHFFFAOYSA-Nbenzyl hydrogen 3,3-dimethylglutarate3,3-Dimethyl-pentanedioic acid monobenzyl esterA1-16142

Database identifiers

PubChem CID
23322892

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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