Basic information
- CAS
24149-26-6- Standard SMILES
CC(C)=CCC(O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CC=C(C)C- InChIKey
LOONUJJGHHFUCE-UHFFFAOYSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22497412
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one
- IUPAC
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one
- English name
- 3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one
- Molecular formula
- C21H32O5
- Molecular weight
- 364.48
Names & synonyms
24149-26-63,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one3,4-Dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-oneRHO-ISOHUMULONEB1RHO-ISOHUMULONEA2RHO-ISOHUMULONEB2EINECS 246-037-8TRANS-RHO-1-ISOHUMULONE16827-08-016827-07-916892-01-616892-02-7
Show more names
2-Cyclopenten-1-one, 3,4-dihydroxy-4-(1-hydroxy-4-methyl-3-penten-1-yl)-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-
3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-en-1-yl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-oneSCHEMBL2537975DTXSID10946980LOONUJJGHHFUCE-UHFFFAOYSA-NNS00050032
Database identifiers
- CAS
24149-26-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 538.7 · 538.7±50.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.58(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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