Oxacyclododec-9-en-2-one, 12-methyl-, (9E)-
Basic information
- CAS
58654-20-9- Standard SMILES
CC1CC=CCCCCCCC(=O)O1- InChIKey
IYNKPPZNZQQWKC-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Oxacyclododec-9-en-2-one, 12-methyl-, (9E)-
- IUPAC
- 12-methyl-1-oxacyclododec-9-en-2-one
Names & synonyms
Oxacyclododec-9-en-2-one, 12-methyl-, (9E)-58654-20-912-methyl-1-oxacyclododec-9-en-2-oneDTXSID70340682
Database identifiers
- CAS
58654-20-9- PubChem CID
- 566541
- DTXSID
DTXSID70340682
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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