silver 4-oxo-4-phenylmethoxybutanoate

C11H11AgO4 — CID 22480517

IUPACsilver 4-oxo-4-phenylmethoxybutanoate
SMILESO=C([O-])CCC(=O)OCc1ccccc1.[Ag+]
InChIInChI=1S/C11H12O4.Ag/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,12,13);/q;+1/p-1
InChIKeyOTTMLBBQJRDZBX-UHFFFAOYSA-M
MW315.07 g/mol
LogP0.26
Rot. Bonds5

About silver 4-oxo-4-phenylmethoxybutanoate

silver 4-oxo-4-phenylmethoxybutanoate (PubChem CID 22480517) has the molecular formula C11H11AgO4 and a molecular weight of 315.07 g/mol. Its IUPAC name is silver 4-oxo-4-phenylmethoxybutanoate.

Molecular Properties

Compound Namesilver 4-oxo-4-phenylmethoxybutanoate
PubChem CID22480517
Molecular FormulaC11H11AgO4
Molecular Weight315.07 g/mol
Exact Mass313.97
IUPAC Namesilver 4-oxo-4-phenylmethoxybutanoate
SMILESO=C([O-])CCC(=O)OCc1ccccc1.[Ag+]
InChIInChI=1S/C11H12O4.Ag/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,12,13);/q;+1/p-1
InChIKeyOTTMLBBQJRDZBX-UHFFFAOYSA-M
XLogP0.26
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzyl 4-oxoheptanedioate
CID 14639376
4-O-amino 1-O-benzyl butanedioate
CID 54013080
1-O-benzyl 4-O-[(2-hydroxyacetyl)oxymethyl] butanedioate
CID 71345343
azane;benzyl 3-phenylpropanoate
CID 175136325
1-O-benzyl 4-O-(methylsulfanylmethyl) butanedioate
CID 71377302
benzyl 5-chloro-4-oxopentanoate
CID 150288604
1-O-benzyl 4-O-carbonochloridoyl butanedioate
CID 151626618
benzyl 4-phenylbutanoate
CID 11961623
CID 173397882
CID 173397882
benzyl 3-nitropropanoate
CID 22960472
benzyl 4-oxoheptanoate
CID 172815327
benzyl 4-(methylideneamino)-4-oxobutanoate
CID 145216142

Frequently Asked Questions

What is the IUPAC name of silver 4-oxo-4-phenylmethoxybutanoate?
The IUPAC name of silver 4-oxo-4-phenylmethoxybutanoate (CID 22480517) is silver 4-oxo-4-phenylmethoxybutanoate.
What is the SMILES notation for silver 4-oxo-4-phenylmethoxybutanoate?
The canonical SMILES for silver 4-oxo-4-phenylmethoxybutanoate is O=C([O-])CCC(=O)OCc1ccccc1.[Ag+].
What is the InChIKey of silver 4-oxo-4-phenylmethoxybutanoate?
The InChIKey is OTTMLBBQJRDZBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O4.Ag/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,12,13);/q;+1/p-1.
What are the key properties of silver 4-oxo-4-phenylmethoxybutanoate?
silver 4-oxo-4-phenylmethoxybutanoate has a molecular weight of 315.07 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 4-oxo-4-phenylmethoxybutanoate is sourced from PubChem (CID 22480517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).