Diethyl ethyl(pentyl)propanedioate
Basic information
- CAS
5408-35-5- Standard SMILES
CCCCCC(CC)(C(=O)OCC)C(=O)OCC- InChIKey
MACVCMUXFXTPRW-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- Diethyl ethyl(pentyl)propanedioate
- IUPAC
- diethyl 2-ethyl-2-pentylpropanedioate
- English name
- 2-amyl-2-ethyl-malonic acid diethyl ester
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35384
Names & synonyms
5408-35-5diethyl ethyl(pentyl)propanedioateDTXSID40278963RefChem:337983DTXCID10230119DIETHYL ETHYL-n-AMYLMALONATENSC10823SCHEMBL7509150NSC-10823NSC128052NSC-128052diethyl 2-ethyl-2-pentylpropanedioate
Show more names
diethyl 2-ethyl-2-pentyl-propanedioate2-amyl-2-ethyl-malonic acid diethyl ester
Database identifiers
- CAS
5408-35-5- PubChem CID
- 223299
- DTXSID
DTXSID40278963
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
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Related reactions
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Compound notes
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