Basic information
- CAS
40516-46-9- Standard SMILES
CCOCC(C(=O)OCC)C(=O)OCC- InChIKey
ZEMAAYXNKBMRGV-UHFFFAOYSA-N- Molecular formula
- C10H18O5
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.11542368
Names & identifiers
- Preferred name
- Diethyl (ethoxymethyl)malonate
- IUPAC
- diethyl 2-(ethoxymethyl)propanedioate
- English name
- diethyl (ethoxymethyl)malonate
- Molecular formula
- C10H18O5
- Molecular weight
- 218.25
Names & synonyms
40516-46-9Diethyl (ethoxymethyl)malonateEINECS 254-950-8ELK35ZB528NSC-160027DTXSID001935271,3-DIETHYL 2-(ETHOXYMETHYL)PROPANEDIOATENSC 160027PROPANEDIOIC ACID, 2-(ETHOXYMETHYL)-, 1,3-DIETHYL ESTERRefChem:133376DTXCID40116018254-950-8
Show more names
Ethoxymethylmalonic acid diethyl ester(Ethoxymethyl)malonic acid diethyl ester2-(Ethoxymethyl)malonic acid diethyl ester[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-(4-morpholinyl)methanone
diethyl 2-(ethoxymethyl)malonatediethyl 2-(ethoxymethyl)propanedioatePropanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl esterDiethyl ethoxymethylmalonatePropanedioic acid, (ethoxymethyl)-, diethyl esterMFCD13184311NSC160027UNII-ELK35ZB528
Database identifiers
- CAS
40516-46-9- PubChem CID
- 98702
- DTXSID
DTXSID00193527- UNII
- ELK35ZB528
- EC Number
- 254-950-8
- Nikkaji
- J332.437K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 278.4 · 278.4±20.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 11.74 · 11.74±0.59(Predicted)
- FDA UNII
- 35 ZB528 · ELK35ZB528
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
26 records
Compound notes
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