Oct-1-ylium, 1-oxo-
Basic information
- CAS
185320-95-0- Standard SMILES
CCCCCCC[C+]=O- InChIKey
OIWPRUZLCLWHRD-UHFFFAOYSA-N- Molecular formula
- C8H15O+
- Average molar mass
- 127.2 g/mol
- Monoisotopic mass
- 127.1122901
Names & identifiers
- Preferred name
- Oct-1-ylium, 1-oxo-
- IUPAC
- octan-1-one
Names & synonyms
oct-1-ylium, 1-oxo-185320-95-01-Oxooct-1-yliumOctylium, 1-oxo- (9CI)DTXSID10349331
Database identifiers
- CAS
185320-95-0- PubChem CID
- 644221
- DTXSID
DTXSID10349331
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 59.6
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Compound notes
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