9-Ethylundecan-4-one
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Basic information
- CAS
54549-96-1- Standard SMILES
CCCC(=O)CCCCC(CC)CC- InChIKey
MMOKGAPHSLANOK-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- 9-Ethylundecan-4-one
- IUPAC
- 9-ethylundecan-4-one
- English name
- 9-Ethylundecan-4-one
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
9-ethylundecan-4-one54549-96-14-Undecanone, 9-ethyl-9-Ethyl-4-undecanone #DTXSID60336993MMOKGAPHSLANOK-UHFFFAOYSA-NDB-318505
Database identifiers
- CAS
54549-96-1- PubChem CID
- 537778
- DTXSID
DTXSID60336993- Nikkaji
- J117.498C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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