3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
Basic information
- CAS
22748-58-9- Standard SMILES
CC(C)CCC(O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C- InChIKey
FUTYYOXQMQKWGM-UHFFFAOYSA-N- Molecular formula
- C21H36O5
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.25627424
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
- IUPAC
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one
- English name
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one
- Molecular formula
- C21H36O5
- Molecular weight
- 368.50754
Names & synonyms
22748-58-93,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-oneEINECS 245-195-53,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-oneSCHEMBL26468511DTXSID20945429FUTYYOXQMQKWGM-UHFFFAOYSA-NNS000520533,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(1-hydroxy-4-methylpentyl)-2-cyclopentene-1-one2-(1-Oxo-3-methylbutyl)-3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-cyclopentene-1-one
Database identifiers
- CAS
22748-58-9- PubChem CID
- 90833
- DTXSID
DTXSID20945429- EC Number
- 245-195-5
- Nikkaji
- J286.294H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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