Basic information
- CAS
41589-42-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)=C1CCCC1- InChIKey
LAVZDVNJFVRYRZ-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-cyclopentylidenepropanedioate
- IUPAC
- diethyl 2-cyclopentylidenepropanedioate
- English name
- Propanedioic acid, 2-cyclopentylidene-, 1,3-diethyl ester
- Molecular formula
- C12H18O4
- Molecular weight
- 226.27
Names & synonyms
41589-42-81,3-diethyl 2-cyclopentylidenepropanedioateRefChem:218511Diethyl 2-cyclopentylidenepropanedioatePropanedioic acid, 2-cyclopentylidene-, 1,3-diethyl esterdiethyl cyclopentylidenemalonateSCHEMBL3200633DTXSID601260128Diethyl cyclopentylidenepropanedioateAKOS024335788ST50550904
Database identifiers
- CAS
41589-42-8- PubChem CID
- 4076271
- DTXSID
DTXSID601260128- Nikkaji
- J791.675B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 327.88 °C · 327.88°C (rough estimate)
- Density
- 1.0616 · 1.0616
- refractive index
- 1.4724 · 1.4724 (estimate)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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