silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate

C22H35AgO5 — CID 88709961

IUPACsilver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate
SMILESCCCCC(C)(C)C/C=C/[C@H]1CCC(=O)[C@@H]1CCCC/C(O)=C(\[O-])C(=O)O.[Ag+]
InChIInChI=1S/C22H36O5.Ag/c1-4-5-14-22(2,3)15-8-9-16-12-13-18(23)17(16)10-6-7-11-19(24)20(25)21(26)27;/h8-9,16-17,24-25H,4-7,10-15H2,1-3H3,(H,26,27);/q;+1/p-1/b9-8+,20-19+;/t16-,17+;/m0./s1
InChIKeyAJXLYTQQSBDBGK-KRINVYSISA-M
MW487.39 g/mol
LogP4.52
Rot. Bonds12

About silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate

silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate (PubChem CID 88709961) has the molecular formula C22H35AgO5 and a molecular weight of 487.39 g/mol. Its IUPAC name is silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate.

Molecular Properties

Compound Namesilver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate
PubChem CID88709961
Molecular FormulaC22H35AgO5
Molecular Weight487.39 g/mol
Exact Mass486.15
IUPAC Namesilver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate
SMILESCCCCC(C)(C)C/C=C/[C@H]1CCC(=O)[C@@H]1CCCC/C(O)=C(\[O-])C(=O)O.[Ag+]
InChIInChI=1S/C22H36O5.Ag/c1-4-5-14-22(2,3)15-8-9-16-12-13-18(23)17(16)10-6-7-11-19(24)20(25)21(26)27;/h8-9,16-17,24-25H,4-7,10-15H2,1-3H3,(H,26,27);/q;+1/p-1/b9-8+,20-19+;/t16-,17+;/m0./s1
InChIKeyAJXLYTQQSBDBGK-KRINVYSISA-M
XLogP4.52
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-[(1R,2R)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 90673938
7-[(1R,2R)-2-(4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]-2-hydroxy-2-phenylheptanoic acid
CID 54173412
7-[(1R,2R)-2-(4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]-2-hydroxy-2-propoxyheptanoic acid
CID 57055130
trans-(2R,3R)-3-(4-cyclopropyl-4-hydroxyoct-1-enyl)-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
CID 57201880
7-[(1R,2R)-2-[(E)-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 154412212
trans-(2R,3R)-2-(6,7-dihydroxy-5-oxohept-6-enyl)-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 173439856
methyl 6-[(1R,2R)-2-(4-hydroxy-4-methylocta-1,5-dienyl)-5-oxocyclopentyl]hexanoate
CID 57305704
7-[(1R,2R)-2-(4-cyclopropyl-4-hydroxyoct-1-enyl)-5-oxocyclopentyl]-2-(2-hydroxyethylsulfanyl)heptanoic acid
CID 57171160
(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
CID 142894484
2-hydroxy-2-[4-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]butoxy]acetic acid
CID 54120122
2-[2-[2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 77223272
7-[(1R,2R)-2-[4-(1-fluoroethenyl)-4-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 54357513

Frequently Asked Questions

What is the IUPAC name of silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate?
The IUPAC name of silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate (CID 88709961) is silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate.
What is the SMILES notation for silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate?
The canonical SMILES for silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate is CCCCC(C)(C)C/C=C/[C@H]1CCC(=O)[C@@H]1CCCC/C(O)=C(\[O-])C(=O)O.[Ag+].
What is the InChIKey of silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate?
The InChIKey is AJXLYTQQSBDBGK-KRINVYSISA-M. The full InChI is InChI=1S/C22H36O5.Ag/c1-4-5-14-22(2,3)15-8-9-16-12-13-18(23)17(16)10-6-7-11-19(24)20(25)21(26)27;/h8-9,16-17,24-25H,4-7,10-15H2,1-3H3,(H,26,27);/q;+1/p-1/b9-8+,20-19+;/t16-,17+;/m0./s1.
What are the key properties of silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate?
silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate has a molecular weight of 487.39 g/mol, XLogP of 4.52, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver (E)-7-[(1R,2R)-2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-1,3-dihydroxy-1-oxohept-2-en-2-olate is sourced from PubChem (CID 88709961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).