(4R,5R)-4,5-Dimethyl-3-oxo-octanoic Acid Ethyl Ester

HCID 25232467
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Basic information

Standard SMILES
CCC[C@@H](C)[C@@H](C)C(=O)CC(=O)OCC
InChIKey
AUJGBGNNDRUEAA-NXEZZACHSA-N
Molecular formula
C12H22O3
Average molar mass
214.3 g/mol

Names & identifiers

Preferred name
(4R,5R)-4,5-Dimethyl-3-oxo-octanoic Acid Ethyl Ester
IUPAC
ethyl (4R,5R)-4,5-dimethyl-3-oxooctanoate

Names & synonyms

SCHEMBL4445321AUJGBGNNDRUEAA-NXEZZACHSA-N(4R,5R)-4,5-Dimethyl-3-oxo-octanoic Acid Ethyl Ester

Database identifiers

PubChem CID
25232467
Nikkaji
J2.691.234B

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
15

Related reactions

7 records
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Compound notes

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