Basic information
- CAS
63765-76-4- Standard SMILES
CCCC(=O)C(C(C)=O)C(=O)OCC- InChIKey
ADNFJNFZZOQJKK-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3-oxohexanoate
- IUPAC
- ethyl 2-acetyl-3-oxohexanoate
- English name
- ETHYL 2-ACETYL-3-OXO-HEXANOATE
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
ethyl 2-acetyl-3-oxohexanoate63765-76-4DTXSID80980295RefChem:1084784DTXCID5014075732-Acetyl-3-oxohexanoic acid ethyl esterETHYL 2-ACETYL-3-OXO-HEXANOATEAI3-19311HEXANOIC ACID, 2-ACETYL-3-OXO-, ETHYL ESTEREthyl 3-oxo-2-acetylhexanoateSCHEMBL3297474AKOS004115329
Show more names
Ethyl -butyryl-acetylacetate2-acetyl-3-oxo-hexanoic acid ethyl ester
ethyl 2-ethanoyl-3-oxidanylidene-hexanoateDB-351498G68642
Database identifiers
- CAS
63765-76-4- PubChem CID
- 44670
- DTXSID
DTXSID80980295- Nikkaji
- J24.741C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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