Basic information
- Standard SMILES
O=C1OCCCCO1- InChIKey
VKSWWACDZPRJAP-UHFFFAOYSA-N- Molecular formula
- C5H8O3
- Average molar mass
- 116.11 g/mol
Names & identifiers
- Preferred name
- 1,3-Dioxepan-2-one
- IUPAC
- 1,3-dioxepan-2-one
Names & synonyms
1,3-dioxepan-2-one4427-94-5155449-11-9MFCD28360927tetramethylene carbonateSCHEMBL64894SCHEMBL3994362VKSWWACDZPRJAP-UHFFFAOYSA-NBS-18938D93115F817312
Database identifiers
- PubChem CID
- 10197665
- Nikkaji
- J784.042J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.7
Related reactions
1 records
Compound notes
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