Basic information
- CAS
23971-84-8- Standard SMILES
C=C1C(=O)OC[C@@H]1C/C=C(\C)CC(=O)C=C(C)C- InChIKey
WSKLYRKBPFVGEJ-KKNAONHISA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
See also: Chamomile (part of).
Names & identifiers
- Preferred name
- Anthecotuloide
- IUPAC
- (4R)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
Names & synonyms
AnthecotuloideQYD7Z6CG9E23971-84-82(3H)-Furanone, 4-((2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl)dihydro-3-methylene-, (4R)-2(3H)-Furanone, 4-(3,7-dimethyl-5-oxo-2,6-octadienyl)dihydro-3-methylene-, (E)-(+)-RefChem:27983UNII-QYD7Z6CG9E
Database identifiers
- CAS
23971-84-8- PubChem CID
- 25762159
- UNII
- QYD7Z6CG9E
- Nikkaji
- J3.001.458H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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