tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane

C21H44OSiSn — CID 11812535

IUPACtert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane
SMILESCCCC[Sn](C#CCO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C9H17OSi.3C4H9.Sn/c1-7-8-10-11(5,6)9(2,3)4;3*1-3-4-2;/h8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyXTICJIPQRISGDS-UHFFFAOYSA-N
MW459.38 g/mol
LogP7.40
Rot. Bonds11

About tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane

tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane (PubChem CID 11812535) has the molecular formula C21H44OSiSn and a molecular weight of 459.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane
PubChem CID11812535
Molecular FormulaC21H44OSiSn
Molecular Weight459.38 g/mol
Exact Mass460.22
IUPAC Nametert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane
SMILESCCCC[Sn](C#CCO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C9H17OSi.3C4H9.Sn/c1-7-8-10-11(5,6)9(2,3)4;3*1-3-4-2;/h8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyXTICJIPQRISGDS-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propargyloxy-t-butyldimethylsilane
CID 3445622
Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propynyl]trimethyl-
CID 10988471
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
Tert-butyl-dimethyl-penta-2,4-diynoxysilane
CID 11252555
Tert-butyl-but-2-ynoxy-dimethylsilane
CID 11263895
Tert-butyl-dimethyl-pent-3-ynoxysilane
CID 11769487
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-2-yn-1-yl]oxy}silane
CID 14006074
Tert-butyl-dimethyl-(tributylstannylmethoxy)silane
CID 14270862

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane (CID 11812535) is tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane is CCCC[Sn](C#CCO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane?
The InChIKey is XTICJIPQRISGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OSi.3C4H9.Sn/c1-7-8-10-11(5,6)9(2,3)4;3*1-3-4-2;/h8H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane?
tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane has a molecular weight of 459.38 g/mol, XLogP of 7.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-tributylstannylprop-2-ynoxy)silane is sourced from PubChem (CID 11812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).