tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane

C27H50F3NOSSiSn — CID 172844663

IUPACtert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(C2CCC(O[Si](C)(C)C(C)(C)C)C2)nc1C(F)(F)F
InChIInChI=1S/C15H23F3NOSSi.3C4H9.Sn/c1-14(2,3)22(4,5)20-11-7-6-10(8-11)13-19-12(9-21-13)15(16,17)18;3*1-3-4-2;/h10-11H,6-8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyXGIGXPWNGBHEKC-UHFFFAOYSA-N
MW640.56 g/mol
LogP9.88
Rot. Bonds13

About tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane

tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane (PubChem CID 172844663) has the molecular formula C27H50F3NOSSiSn and a molecular weight of 640.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane
PubChem CID172844663
Molecular FormulaC27H50F3NOSSiSn
Molecular Weight640.56 g/mol
Exact Mass641.24
IUPAC Nametert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(C2CCC(O[Si](C)(C)C(C)(C)C)C2)nc1C(F)(F)F
InChIInChI=1S/C15H23F3NOSSi.3C4H9.Sn/c1-14(2,3)22(4,5)20-11-7-6-10(8-11)13-19-12(9-21-13)15(16,17)18;3*1-3-4-2;/h10-11H,6-8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyXGIGXPWNGBHEKC-UHFFFAOYSA-N
XLogP9.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.56
LogP ≤ 59.88
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-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane (CID 172844663) is tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane is CCCC[Sn](CCCC)(CCCC)c1sc(C2CCC(O[Si](C)(C)C(C)(C)C)C2)nc1C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane?
The InChIKey is XGIGXPWNGBHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3NOSSi.3C4H9.Sn/c1-14(2,3)22(4,5)20-11-7-6-10(8-11)13-19-12(9-21-13)15(16,17)18;3*1-3-4-2;/h10-11H,6-8H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane?
tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane has a molecular weight of 640.56 g/mol, XLogP of 9.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[5-tributylstannyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentyl]oxysilane is sourced from PubChem (CID 172844663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).