Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-
Basic information
- CAS
56055-62-0- Standard SMILES
CCCC(=CC(=O)CC1OCCO1)CCC- InChIKey
OLXZYZHHDDGGQC-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- Hept-3-en-2-one, 1-(1,3-dioxolan-2-yl)-4-propyl-
- IUPAC
- 1-(1,3-dioxolan-2-yl)-4-propylhept-3-en-2-one
Names & synonyms
1-(1,3-Dioxolan-2-yl)-4-propylhept-3-en-2-one56055-62-0HEPT-3-EN-2-ONE, 1-(1,3-DIOXOLAN-2-YL)-4-PROPYL-DTXSID20204609RefChem:347126DTXCID00127100
Database identifiers
- CAS
56055-62-0- PubChem CID
- 41698
- DTXSID
DTXSID20204609- Nikkaji
- J73.674K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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