5,5'-(Hexane-1,6-diyl)bis(3-methylideneoxolan-2-one)
Basic information
- CAS
57899-41-9- Standard SMILES
C=C1CC(CCCCCCC2CC(=C)C(=O)O2)OC1=O- InChIKey
DPTGZWIAMCIVOZ-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- 5,5'-(Hexane-1,6-diyl)bis(3-methylideneoxolan-2-one)
- IUPAC
- 3-methylidene-5-[6-(4-methylidene-5-oxooxolan-2-yl)hexyl]oxolan-2-one
Names & synonyms
57899-41-9DTXSID303086025,5'-(Hexane-1,6-diyl)bis(3-methylideneoxolan-2-one)RefChem:298145DTXCID102597295,5'-(Hexane-1,6-diyl)bis(3-methylenedihydrofuran-2-one)NSC205373CHEMBL3274882NSC-205373
Database identifiers
- CAS
57899-41-9- PubChem CID
- 307269
- DTXSID
DTXSID30308602- ChEMBL
CHEMBL3274882
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
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Related reactions
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Compound notes
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