5,5'-(Propane-1,3-diyl)bis(3-methylideneoxolan-2-one)
Basic information
- CAS
57899-38-4- Standard SMILES
C=C1CC(CCCC2CC(=C)C(=O)O2)OC1=O- InChIKey
LCVMTTYXOXAZFL-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 5,5'-(Propane-1,3-diyl)bis(3-methylideneoxolan-2-one)
- IUPAC
- 3-methylidene-5-[3-(4-methylidene-5-oxooxolan-2-yl)propyl]oxolan-2-one
Names & synonyms
57899-38-4NSC205370CHEMBL32448105,5'-(Propane-1,3-diyl)bis(3-methylideneoxolan-2-one)DTXSID60308599NSC-205370
Database identifiers
- CAS
57899-38-4- PubChem CID
- 307266
- DTXSID
DTXSID60308599- ChEMBL
CHEMBL3244810
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…