Basic information
- CAS
69651-45-2- Standard SMILES
CC(=O)C(=C=C(C(C)C)C(C)(C)O)C(=C=C(C(C)C)C(C)(C)O)C(C)=O- InChIKey
UXNZFOSZKISSPK-UHFFFAOYSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Names & identifiers
- Preferred name
- 3,4-Bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
- IUPAC
- 3,4-bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione
- English name
- 3,4-Bis(3-hydroxy-3-methyl-2-isopropyl-1-butenylidene)-2,5-hexanedione
- Molecular weight
- 0
Names & synonyms
DTXSID703475753,4-bis(3-hydroxy-3-methyl-2-propan-2-ylbut-1-enylidene)hexane-2,5-dione69651-45-2RefChem:270678DTXCID00298647UXNZFOSZKISSPK-UHFFFAOYSA-N2,5-Hexanedione, 3,4-bis[3-hydroxy-3-methyl-2-(1-methylethyl)-1-butenylidene]-3,4-bis[3-hydroxy-3-methyl-2-(propan-2-yl)but-1-en-1-ylidene]hexane-2,5-dione3,4-Bis(3-hydroxy-2-isopropyl-3-methyl-1-butenylidene)-2,5-hexanedione #3,4-Bis(3-hydroxy-3-methyl-2-isopropyl-1-butenylidene)-2,5-hexanedione
Database identifiers
- CAS
69651-45-2- PubChem CID
- 623137
- DTXSID
DTXSID70347575- Nikkaji
- J131.608G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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