Pentanedioic acid, ethyl methyl ester
Basic information
- CAS
51503-30-1- Standard SMILES
CCOC(=O)CCCC(=O)OC- InChIKey
YHRUNAIXGSNSTP-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Names & identifiers
- Preferred name
- Pentanedioic acid, ethyl methyl ester
- IUPAC
- 5-O-ethyl 1-O-methyl pentanedioate
- English name
- Glutaric acid 1-methyl 5-ethyl ester
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Pentanedioic acid, ethyl methyl ester51503-30-1DTXSID90336426RefChem:1094507DTXCID40287515ethyl methyl glutarate5-O-ethyl 1-O-methyl pentanedioateMethyl ethyll glutarateEthyl methyl diester of pentanedioic acidEthyl methyl pentanedioateGLUTARIC ACID 1-METHYL 5-ETHYL ESTERSCHEMBL1980139
Show more names
pentyldieneacidethyl methyl esterGlutaric acid 1-ethyl 5-methyl esterPentanedioic acid， ethyl methyl esterPentanedioic acid 1-ethyl 5-methyl ester
SCHEMBL7742892Glutaric acid, ethyl methyl esterO5-ethyl O1-methyl pentanedioateYHRUNAIXGSNSTP-UHFFFAOYSA-N1-Ethyl 5-methyl pentanedioate #Pentanedioic acid ethyl methyl esterMFCD18969739E85716
Database identifiers
- CAS
51503-30-1- PubChem CID
- 533712
- DTXSID
DTXSID90336426- Nikkaji
- J129.486E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 107 · 107-109 °C(Press: 22 Torr)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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