Dibutyl 1,3-dithiolan-2-ylidenepropanedioate
Basic information
- CAS
50780-69-3- Standard SMILES
CCCCOC(=O)C(C(=O)OCCCC)=C1SCCS1- InChIKey
ZETBTPVLZNYFEL-UHFFFAOYSA-N- Molecular formula
- C14H22O4S2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.09595153
Names & identifiers
- Preferred name
- Dibutyl 1,3-dithiolan-2-ylidenepropanedioate
- IUPAC
- dibutyl 2-(1,3-dithiolan-2-ylidene)propanedioate
Names & synonyms
50780-69-3Propanedioic acid, 1,3-dithiolan-2-ylidene-, dibutyl esterDibutyl 1,3-dithiolan-2-ylidenepropanedioateDTXSID60198811Dibutyl (1,3-dithiolan-2-ylidene)propanedioate
Database identifiers
- CAS
50780-69-3- PubChem CID
- 93255
- DTXSID
DTXSID60198811
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
LogP4.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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