CID 87927
Basic information
- CAS
36359-70-3- Standard SMILES
CCC=CCCC(C)=O- InChIKey
NBFKNCBRFJKDDR-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
See also: (Z)-5-Octen-2-one (annotation moved to).
Names & identifiers
- Preferred name
- CID 87927
- IUPAC
- oct-5-en-2-one
Names & synonyms
36359-70-322610-86-2SCHEMBL1905071SCHEMBL8991730DTXSID10860233NS00123675
Database identifiers
- CAS
36359-70-3- PubChem CID
- 87927
- DTXSID
DTXSID10860233
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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