Basic information
- CAS
59223-30-2- Standard SMILES
C=C(CC(=O)[O-])C(=O)OC(CCC)CCCCCCCCCCCC- InChIKey
QPXSGJQFXSYSDA-UHFFFAOYSA-M- Molecular formula
- C21H37O4-
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.26918466
Names & identifiers
- Preferred name
- 3-{[(Hexadecan-4-yl)oxy]carbonyl}but-3-enoate
- IUPAC
- 3-hexadecan-4-yloxycarbonylbut-3-enoate
Names & synonyms
59223-30-23-{[(Hexadecan-4-yl)oxy]carbonyl}but-3-enoateDTXSID20787205
Database identifiers
- CAS
59223-30-2- PubChem CID
- 71363692
- DTXSID
DTXSID20787205
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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