Basic information
- CAS
15121-01-4- Standard SMILES
CC(=O)C12CCCCC1O2- InChIKey
IYVLEWWTLSXNMH-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-
- IUPAC
- 1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone
- English name
- 1-[7-Oxabicyclo[4.1.0]hept-1-yl]ethanone
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
15121-01-4Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone1-{7-oxabicyclo[4.1.0]heptan-1-yl}ethan-1-one1-(7-OXABICYCLO[4.1.0]HEPTAN-1-YL)ETHAN-1-ONE1-Acetylcyclohexene oxideKetone, methyl 7-oxabicyclo[4.1.0]hept-1-yl1-acetyl-1-cyclohexene oxide1-acetyl-1,2-epoxycyclohexaneSCHEMBL16391394DTXSID90336784IYVLEWWTLSXNMH-UHFFFAOYSA-N
Show more names
1-[7-Oxabicyclo[4.1.0]hept-1-yl]ethanone7-Oxabicyclo[4.1.0]hept-1-yl(methyl) ketone
1-(7-Oxabicyclo[4.1.0]hept-1-yl)ethanoneG575821-(7-Oxabicyclo[4.1.0]hept-1-yl)ethanone #1-(7-oxabicyclo[4.1.0]heptan-1-yl)-ethanoneEN300-25387314Z1513596244
Database identifiers
- CAS
15121-01-4- PubChem CID
- 536253
- DTXSID
DTXSID90336784- Nikkaji
- J113.921E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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