3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one

C30H60O4Si2Sn — CID 58985889

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one
SMILESCCCC[Sn](CCCC)(CCCC)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33O4Si2.3C4H9.Sn/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6;3*1-3-4-2;/h11H,12H2,1-10H3;3*1,3-4H2,2H3;
InChIKeyGVEGROLQOWYARY-UHFFFAOYSA-N
MW659.69 g/mol
LogP9.60
Rot. Bonds15

About 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one

3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one (PubChem CID 58985889) has the molecular formula C30H60O4Si2Sn and a molecular weight of 659.69 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one
PubChem CID58985889
Molecular FormulaC30H60O4Si2Sn
Molecular Weight659.69 g/mol
Exact Mass660.31
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one
SMILESCCCC[Sn](CCCC)(CCCC)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33O4Si2.3C4H9.Sn/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6;3*1-3-4-2;/h11H,12H2,1-10H3;3*1,3-4H2,2H3;
InChIKeyGVEGROLQOWYARY-UHFFFAOYSA-N
XLogP9.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.69
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)-
CID 41475
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyran-4-one
CID 11448240
5-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 22937915
2-(((tert-Butyldimethylsilyl)oxy)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 57978416
2-Bromo-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 58985884
3-[Tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyran-4-one
CID 58985887
CID 87151741
CID 87151741
2-Bromo-3-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-pyran-4-one
CID 131728523
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyran-4-one
CID 140824928
5-[Tert-butyl(dimethyl)silyl]oxy-2-(2-tert-butylsilyloxypropan-2-yl)pyran-4-one
CID 152719551
5-[Tert-butyl(dimethyl)silyl]oxy-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)pyran-4-one
CID 173018807
3-Butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-2-carbaldehyde
CID 173676091

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one (CID 58985889) is 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one is CCCC[Sn](CCCC)(CCCC)c1oc(CO[Si](C)(C)C(C)(C)C)cc(=O)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one?
The InChIKey is GVEGROLQOWYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O4Si2.3C4H9.Sn/c1-17(2,3)23(7,8)21-12-14-11-15(19)16(13-20-14)22-24(9,10)18(4,5)6;3*1-3-4-2;/h11H,12H2,1-10H3;3*1,3-4H2,2H3;.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one?
3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one has a molecular weight of 659.69 g/mol, XLogP of 9.60, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-tributylstannylpyran-4-one is sourced from PubChem (CID 58985889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).