1,2,4,5-Tetrahydrobenzo[d]oxepine
Basic information
- CAS
5368-66-1- Standard SMILES
c1ccc2c(c1)CCOCC2- InChIKey
UFOOGTWMHKEYLV-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrahydrobenzo[d]oxepine
- IUPAC
- 1,2,4,5-tetrahydro-3-benzoxepine
- English name
- 1,2,4,5-Tetrahydrobenzo[d]oxepine
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
1,2,4,5-Tetrahydrobenzo[d]oxepine5368-66-11,2,4,5-tetrahydro-3-benzoxepin1,2,4,5-tetrahydro-3-benzoxepineSCHEMBL520050SCHEMBL520051SCHEMBL2062312DTXSID10619460UFOOGTWMHKEYLV-UHFFFAOYSA-NFAA36866AKOS0063729945,6,8,9-Tetrahydro-7-oxa-benzocycloheptene
Show more names
3-Benzoxepin, 1,2,4,5-tetrahydro-
Database identifiers
- CAS
5368-66-1- PubChem CID
- 21886944
- DTXSID
DTXSID10619460
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
2 records
Compound notes
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