2,2,3-Trimethylbutanoic acid ethyl ester

HCID 523542CAS 1727-61-3
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)C(C)C
InChIKey
QEIVPDRGIDPMTE-UHFFFAOYSA-N
Molecular formula
C9H18O2
Average molar mass
158.24 g/mol
Monoisotopic mass
158.13067982

Names & identifiers

Preferred name
2,2,3-Trimethylbutanoic acid ethyl ester
IUPAC
ethyl 2,2,3-trimethylbutanoate

Names & synonyms

2,2,3-trimethylbutanoic acid ethyl ester1727-61-3DTXSID50335192RefChem:242796DTXCID00286281Butanoic acid, 2,2,3-trimethyl, ethyl esterethyl 2,2,3-trimethylbutanoateSCHEMBL5515278

Database identifiers

CAS
1727-61-3
PubChem CID
523542
DTXSID
DTXSID50335192
Nikkaji
J898.624J

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Related reactions

10 records
New reaction record

Linked notes

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