3-Hepten-2-one, 3-ethyl-4-methyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
54244-90-5- Standard SMILES
CCCC(C)=C(CC)C(C)=O- InChIKey
PUHMMKUISPITSC-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 3-Hepten-2-one, 3-ethyl-4-methyl-
- IUPAC
- 3-ethyl-4-methylhept-3-en-2-one
- English name
- 3-Hepten-2-one, 3-ethyl-4-methyl-
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
3-Hepten-2-one, 3-ethyl-4-methyl-54244-90-5DTXSID30336965RefChem:279638DTXCID50288053PUHMMKUISPITSC-CSKARUKUSA-N3-ETHYL-4-METHYLHEPT-3-EN-2-ONESCHEMBL27582694DB-3245523-Ethyl-4-methyl-3-hepten-2-one
Database identifiers
- CAS
54244-90-5- PubChem CID
- 537609
- DTXSID
DTXSID30336965
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 74.5 °C · 74.5°C (estimate)
- Boiling point
- 232.64 °C · 232.64°C (estimate)
- Density
- 0.8559 · 0.8559
- refractive index
- 1.4535 · 1.4535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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