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Basic information
- CAS
55402-04-5- Standard SMILES
CCOC(C#CC(C)=O)OCC- InChIKey
PRFNDLKQCYRCEE-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 5,5-Diethoxy-3-pentyn-2-one
- IUPAC
- 5,5-diethoxypent-3-yn-2-one
- English name
- 5,5-Diethoxy-3-pentyn-2-one
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
5,5-DIETHOXY-3-PENTYN-2-ONE55402-04-55,5-diethoxypent-3-yn-2-one3-Pentyn-2-one, 5,5-diethoxy-NSC373548SCHEMBL50476005,5-diethoxy-pent-3yne-2-one5,5-diethoxy-pent-3-yn-2-oneDTXSID002039585,5-Diethoxy-3-pentyn-2-one #NSC 373548NSC-373548
Show more names
DB-325193
Database identifiers
- CAS
55402-04-5- PubChem CID
- 41441
- DTXSID
DTXSID00203958- Nikkaji
- J113.572D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
2 records
Compound notes
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