tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane

C34H54O3SiSn — CID 10985185

IUPACtert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](OC)O1
InChIInChI=1S/C22H27O3Si.3C4H9.Sn/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-24-21(17-18)23-4;3*1-3-4-2;/h5-15,18,21H,17H2,1-4H3;3*1,3-4H2,2H3;/t18-,21-;;;;/m1..../s1
InChIKeyPWQZCXFLOSSEAL-MIUIYFMBSA-N
MW657.60 g/mol
LogP8.60
Rot. Bonds15

About tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane

tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane (PubChem CID 10985185) has the molecular formula C34H54O3SiSn and a molecular weight of 657.60 g/mol. Its IUPAC name is tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane
PubChem CID10985185
Molecular FormulaC34H54O3SiSn
Molecular Weight657.60 g/mol
Exact Mass658.29
IUPAC Nametert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](OC)O1
InChIInChI=1S/C22H27O3Si.3C4H9.Sn/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-24-21(17-18)23-4;3*1-3-4-2;/h5-15,18,21H,17H2,1-4H3;3*1,3-4H2,2H3;/t18-,21-;;;;/m1..../s1
InChIKeyPWQZCXFLOSSEAL-MIUIYFMBSA-N
XLogP8.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.60
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane (CID 10985185) is tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](OC)O1.
What is the InChIKey of tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane?
The InChIKey is PWQZCXFLOSSEAL-MIUIYFMBSA-N. The full InChI is InChI=1S/C22H27O3Si.3C4H9.Sn/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-24-21(17-18)23-4;3*1-3-4-2;/h5-15,18,21H,17H2,1-4H3;3*1,3-4H2,2H3;/t18-,21-;;;;/m1..../s1.
What are the key properties of tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane?
tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane has a molecular weight of 657.60 g/mol, XLogP of 8.60, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,4S)-2-methoxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-diphenylsilane is sourced from PubChem (CID 10985185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).