Basic information
- CAS
107536-60-7- Standard SMILES
OC1CCCCOC1- InChIKey
PGTMYXAQLPHCAL-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- Oxepan-3-ol
- IUPAC
- oxepan-3-ol
Names & synonyms
oxepan-3-ol107536-60-7SCHEMBL524702SCHEMBL524703
Database identifiers
- CAS
107536-60-7- PubChem CID
- 13616686
- EC Number
- 196-739-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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