1-Hexen-1-one, 2-ethyl-
Basic information
- CAS
17139-73-0- Standard SMILES
CCCCC(=C=O)CC- InChIKey
YBXJZGOTBMPKNO-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 1-Hexen-1-one, 2-ethyl-
- IUPAC
- 2-ethylhex-1-en-1-one
Names & synonyms
1-Hexen-1-one, 2-ethyl-17139-73-0DTXSID9073412RefChem:230746DTXCID70354882-ethylhex-1-en-1-one2-ethyl-1-hexenalSCHEMBL2671635
Database identifiers
- CAS
17139-73-0- PubChem CID
- 86967
- DTXSID
DTXSID9073412- Nikkaji
- J1.557.106C
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 110
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Compound notes
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