silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate

C44H87AgF2O16SSi2 — CID 163933979

IUPACsilver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.CCC(C)C(=O)OCCOCC1CO1.CCOCCOCCOC(=O)C(C)CC.[Ag+]
InChIInChI=1S/C14H32O3Si2.C11H22O4.C10H18O4.C9H16F2O5S.Ag/c1-9-14(2,3)13(15)16-11-10-12-19(7,8)17-18(4,5)6;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-3-8(2)10(11)13-5-4-12-6-9-7-14-9;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;/h9-12H2,1-8H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;6H,5H2,1-4H3,(H,13,14,15);/q;;;;+1/p-1
InChIKeyRLCDXYMMIDRQJN-UHFFFAOYSA-M
MW1106.27 g/mol
LogP8.52
Rot. Bonds29

About silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate

silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate (PubChem CID 163933979) has the molecular formula C44H87AgF2O16SSi2 and a molecular weight of 1106.27 g/mol. Its IUPAC name is silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate.

Molecular Properties

Compound Namesilver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate
PubChem CID163933979
Molecular FormulaC44H87AgF2O16SSi2
Molecular Weight1106.27 g/mol
Exact Mass1104.43
IUPAC Namesilver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.CCC(C)C(=O)OCCOCC1CO1.CCOCCOCCOC(=O)C(C)CC.[Ag+]
InChIInChI=1S/C14H32O3Si2.C11H22O4.C10H18O4.C9H16F2O5S.Ag/c1-9-14(2,3)13(15)16-11-10-12-19(7,8)17-18(4,5)6;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-3-8(2)10(11)13-5-4-12-6-9-7-14-9;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;/h9-12H2,1-8H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;6H,5H2,1-4H3,(H,13,14,15);/q;;;;+1/p-1
InChIKeyRLCDXYMMIDRQJN-UHFFFAOYSA-M
XLogP8.52
TPSA211.85 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms66
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.27
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate?
The IUPAC name of silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate (CID 163933979) is silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate.
What is the SMILES notation for silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate?
The canonical SMILES for silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate is CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.CCC(C)C(=O)OCCOCC1CO1.CCOCCOCCOC(=O)C(C)CC.[Ag+].
What is the InChIKey of silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate?
The InChIKey is RLCDXYMMIDRQJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32O3Si2.C11H22O4.C10H18O4.C9H16F2O5S.Ag/c1-9-14(2,3)13(15)16-11-10-12-19(7,8)17-18(4,5)6;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-3-8(2)10(11)13-5-4-12-6-9-7-14-9;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;/h9-12H2,1-8H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;6H,5H2,1-4H3,(H,13,14,15);/q;;;;+1/p-1.
What are the key properties of silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate?
silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate has a molecular weight of 1106.27 g/mol, XLogP of 8.52, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate is sourced from PubChem (CID 163933979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).