Diethyl 3-ethylcyclobutane-1,1-dicarboxylate
Basic information
- CAS
66016-02-2- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC(CC)C1- InChIKey
NHDOSBGQQMXBQB-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Diethyl 3-ethylcyclobutane-1,1-dicarboxylate
- IUPAC
- diethyl 3-ethylcyclobutane-1,1-dicarboxylate
- English name
- Diethyl 3-ethylcyclobutane-1,1-dicarboxylate
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
Diethyl 3-ethylcyclobutane-1,1-dicarboxylate66016-02-2MFCD099531121,1-diethyl 3-ethylcyclobutane-1,1-dicarboxylateDIETHYL3-ETHYLCYCLOBUTANE-1,1-DICARBOXYLATESCHEMBL10485886NHDOSBGQQMXBQB-UHFFFAOYSA-N3-Ethyl-1,1-dicarbethoxycyclobutaneAKOS0143322111,1-Cyclobutanedicarboxylic acid, 3-ethyl-, 1,1-diethyl ester
Database identifiers
- CAS
66016-02-2- PubChem CID
- 20041463
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 257 · 257.0±13.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
2 records
Compound notes
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