1,5-Dimethyl 2-methylenepentanedioate
Basic information
- CAS
5621-44-3- Standard SMILES
C=C(CCC(=O)OC)C(=O)OC- InChIKey
URLYMBMJTPDVEP-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 1,5-Dimethyl 2-methylenepentanedioate
- IUPAC
- dimethyl 2-methylidenepentanedioate
- English name
- 2-Methylene-pentanedioic acid dimethyl ester
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
5621-44-3DTXSID2012884911,5-Dimethyl 2-methylenepentanedioateRefChem:1053447DTXCID401719129Dimethyl 2-methylenepentanedioate2-METHYLENE-PENTANEDIOIC ACID DIMETHYL ESTERdimethyl 2-methylidenepentanedioateDimethyl 2-methyleneglutarate1,5-DIMETHYL 2-METHYLIDENEPENTANEDIOATEPentanedioic acid, 2-methylene-, dimethyl ester1-Butene-2,4-dicarboxylic acid dimethyl ester
Show more names
Pentanedioic acid, 2-methylene-, 1,5-dimethyl esterα-[2-(Methoxycarbonyl)ethyl]acrylic acid methyl ester
MFCD082344362-Methylenepentanedioic Acid Dimethyl EsterGlutaric acid, 2-methylene-, dimethyl ester2-Methyleneglutaric acid dimethyl esterMethyl methyleneglutarate4-(Methoxycarbonyl)-4-pentenoic acid methyl esterDimethyl2-methylenepentanedioateSCHEMBL4494873
Database identifiers
- CAS
5621-44-3- PubChem CID
- 574537
- DTXSID
DTXSID201288491- ChEMBL
CHEMBL4866827- Nikkaji
- J119.735E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 2.5 Torr)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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