3-Ethoxy-2,2-dimethylpropionic acid methyl ester

HCID 59268014

Notes Reactions

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Basic information

CAS: 58687-24-4
Standard SMILES: CCOCC(C)(C)C(=O)OC
InChIKey: MXCLPINTMXBNKR-UHFFFAOYSA-N
Molecular formula: C8H16O3
Average molar mass: 160.21 g/mol
Monoisotopic mass: 160.10994437

Names & identifiers

Preferred name: 3-Ethoxy-2,2-dimethylpropionic acid methyl ester
IUPAC: methyl 3-ethoxy-2,2-dimethylpropanoate

Names & synonyms

3-ethoxy-2,2-dimethylpropionic acid methyl esterSCHEMBL1691335MXCLPINTMXBNKR-UHFFFAOYSA-NDTXSID801285045AKOS018179225methyl 3-ethoxy-2,2-dimethylpropanoate58687-24-43-Ethoxy-2,2-dimethyl-propionic acid methyl ester

Database identifiers

CAS: 58687-24-4
PubChem CID: 59268014
DTXSID: DTXSID801285045

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 129

Related reactions

6 records

New reaction record

HRID 553634As productuspto-grants-2011_11

HRID 1802421As productuspto-grants-2013_01

HRID 1809424As productuspto-grants-2013_01

HRID 2154020As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2200783As productuspto-grants-2016_06

HRID 2200823As productuspto-grants-2016_06

Compound notes

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