Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
Basic information
- CAS
77547-02-5- Standard SMILES
C=C1CC(C)(c2ccc(CCCC(=O)OCC)cc2)OC1=O- InChIKey
GLQLFZJKOPGPHL-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
- IUPAC
- ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
Names & synonyms
77547-02-5ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoateNSC172914DTXSID70305953NSC-172914
Database identifiers
- CAS
77547-02-5- PubChem CID
- 299640
- DTXSID
DTXSID70305953
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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