Basic information
- CAS
57899-39-5- Standard SMILES
C=C1CC(CCCCC2CC(=C)C(=O)O2)OC1=O- InChIKey
QNKCYUSAONUMSY-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 5,5'-(Butane-1,4-diyl)bis(3-methylideneoxolan-2-one)
- IUPAC
- 3-methylidene-5-[4-(4-methylidene-5-oxooxolan-2-yl)butyl]oxolan-2-one
Names & synonyms
57899-39-5NSC2053715,5'-(Butane-1,4-diyl)bis(3-methylideneoxolan-2-one)CHEMBL3274880DTXSID10308600NSC-205371
Database identifiers
- CAS
57899-39-5- PubChem CID
- 307267
- DTXSID
DTXSID10308600- ChEMBL
CHEMBL3274880
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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