Pentanoic acid, 4,4-dimethoxy-, ethyl ester

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Basic information

CAS: 652146-14-0
Standard SMILES: CCOC(=O)CCC(C)(OC)OC
InChIKey: ZCZPJGYGVFVPLY-UHFFFAOYSA-N
Molecular formula: C9H18O4
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.12050905

Names & identifiers

Preferred name: Pentanoic acid, 4,4-dimethoxy-, ethyl ester
IUPAC: ethyl 4,4-dimethoxypentanoate

Names & synonyms

Pentanoic acid, 4,4-dimethoxy-, ethyl ester652146-14-0DTXSID00339822RefChem:368197DTXCID40290903ZCZPJGYGVFVPLY-UHFFFAOYSA-NEthyl 4,4-dimethoxypentanoateSCHEMBL1285433Ethyl 4,4-dimethoxypentanoate #4,4-dimethoxy-pentanoic acid ethyl ester

Database identifiers

CAS: 652146-14-0
PubChem CID: 559002
DTXSID: DTXSID00339822
Nikkaji: J2.001.635C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 152

Related reactions

3 records

New reaction record

HRID 1631053As reactantuspto-grants-2014_07

HRID 1666741As reactantuspto-grants-2011_10

HRID 2108930As reactantuspto-grants-2009_04

Compound notes

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