Basic information
- CAS
68512-10-7- Standard SMILES
CCCCCCOC(=O)/C=C/C(=O)O- InChIKey
RNERBJNDXXEXTK-VOTSOKGWSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- (2E)-4-(Hexyloxy)-4-oxo-2-butenoic acid
- IUPAC
- (E)-4-hexoxy-4-oxobut-2-enoic acid
Names & synonyms
CHEMBL1771642SCHEMBL1419926SCHEMBL11164534RNERBJNDXXEXTK-VOTSOKGWSA-NBDBM50342421(2E)-4-(HEXYLOXY)-4-OXO-2-BUTENOIC ACID
Database identifiers
- CAS
68512-10-7- PubChem CID
- 5816396
- ChEMBL
CHEMBL1771642- Nikkaji
- J520.514J、J520.528J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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