3-Hydroxy-2-oxepanone
Basic information
- CAS
80816-54-2- Standard SMILES
O=C1OCCCCC1O- InChIKey
HUFRMAUWIZDZIJ-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Overview
2-hydroxyhexano-6-lactone is an epsilon-lactone. It derives from a hydride of an oxepane.
Names & identifiers
- Preferred name
- 3-Hydroxy-2-oxepanone
- IUPAC
- 3-hydroxyoxepan-2-one
Names & synonyms
80816-54-23-Hydroxy-2-oxepanoneRefChem:9356653-hydroxyoxepan-2-one2-hydroxyhexano-6-lactone1-Oxa-2-oxo-3-hydroxycycloheptanehydroxy caprolactoneSCHEMBL5522044CHEBI:31046DTXSID30332048Q27114097
Database identifiers
- CAS
80816-54-2- PubChem CID
- 443044
- DTXSID
DTXSID30332048- ChEBI
CHEBI:31046- Nikkaji
- J2.781.717C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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