Basic information
- Standard SMILES
CCC(C)C(O)C(C)C(=O)C(C)C=C(C)CC(C)C1OC(=O)C1C- InChIKey
WOISDAHQBUYEAF-UHFFFAOYSA-N- Molecular formula
- C20H34O4
- Average molar mass
- 338.5 g/mol
Names & identifiers
- Preferred name
- 4-(9-Hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl)-3-methyloxetan-2-one
- IUPAC
- 4-(9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl)-3-methyloxetan-2-one
Names & synonyms
3,11-Dihydroxy-2,4,6,8,10,12-hexamethyl-9-oxo-6-tetradecenoic acid 1,3-lactoneSCHEMBL5689201IEB-41554-(9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl)-3-methyloxetan-2-oneDB-0561333,11-Dihydroxy-2,4,6,8,10,12-Hexamethyl-9-Oxo-6-Tetradecen-3-olide4-(8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-undec-3-enyl)-3-methyl-oxetan-2-one2-Oxetanone,4-[(1S,3E,5R,7S,8R,9R)-8-hydroxy-1,3,5,7,9-pentamethyl-6-oxo-3-undecen-1-yl]-3-methyl-,(3S,4S)-
Database identifiers
- PubChem CID
- 3192
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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