3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)cyclopent-2-en-1-one
Basic information
- CAS
22748-57-8- Standard SMILES
CC(C)CCC(=O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C- InChIKey
JIZQRWKUYFNSDM-UHFFFAOYSA-N- Molecular formula
- C21H34O5
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.24062418
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)cyclopent-2-en-1-one
- IUPAC
- 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one
- English name
- 3,4-dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)cyclopent-2-en-1-one
- Molecular formula
- C21H34O5
- Molecular weight
- 366.49
Names & synonyms
22748-57-828815-20-53,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)cyclopent-2-en-1-oneTETRAHYDROISOHUMULONE3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-oneEINECS 245-193-4EINECS 249-253-0UNII-01LSZ8XXL001LSZ8XXL0SCHEMBL2460773DTXSID60945428JIZQRWKUYFNSDM-UHFFFAOYSA-N
Show more names
2-(3-Methylbutyryl)-3,4-dihydroxy-5-(3-methylbutyl)-4-(4-methylpentanoyl)-2-cyclopentene-1-one2-(3-Methylbutanoyl)-3,4-dihydroxy-4-(4-methylpentanoyl)-5-(3-methylbutyl)-2-cyclopentene-1-one3,4-Dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)-2-cyclopenten-1-one2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopentyl)-
NS00124358
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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