bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane

C26H50B2Si2Sn — CID 15495136

IUPACbis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
SMILESCCB(CC)C1=C[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C[Si]2(C)C)=C1CC
InChIInChI=1S/2C12H22BSi.2CH3.Sn/c2*1-6-11-9-14(4,5)10-12(11)13(7-2)8-3;;;/h2*10H,6-8H2,1-5H3;2*1H3;
InChIKeyDRRKPZSPDJXCAS-UHFFFAOYSA-N
MW559.19 g/mol
LogP8.79
Rot. Bonds10

About bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane

bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane (PubChem CID 15495136) has the molecular formula C26H50B2Si2Sn and a molecular weight of 559.19 g/mol. Its IUPAC name is bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane.

Molecular Properties

Compound Namebis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
PubChem CID15495136
Molecular FormulaC26H50B2Si2Sn
Molecular Weight559.19 g/mol
Exact Mass560.27
IUPAC Namebis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
SMILESCCB(CC)C1=C[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C[Si]2(C)C)=C1CC
InChIInChI=1S/2C12H22BSi.2CH3.Sn/c2*1-6-11-9-14(4,5)10-12(11)13(7-2)8-3;;;/h2*10H,6-8H2,1-5H3;2*1H3;
InChIKeyDRRKPZSPDJXCAS-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.19
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 12412363
[4-Bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane
CID 135081386
[2,7-Bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-germaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane
CID 154716234
(1,1-Dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 154716772
Borane, [3,8-diethyl-1,4,6,9-tetrakis(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene-2,7-diyl]bis[diethyl-
CID 625425
(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylsilol-2-yl)-trimethylsilane
CID 15151075
Bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
CID 15495132
(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
[3-Diethylboranyl-5-[(4-diethylboranyl-3-ethyl-1,1-dimethyl-5-trimethylsilylsilol-2-yl)-dimethylstannyl]-4-ethyl-1,1-dimethylsilol-2-yl]-trimethylsilane
CID 15495141
[3-Diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane
CID 15495142
[3-Diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495147
[3-Diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
CID 15495150

Frequently Asked Questions

What is the IUPAC name of bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The IUPAC name of bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane (CID 15495136) is bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane.
What is the SMILES notation for bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The canonical SMILES for bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane is CCB(CC)C1=C[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C[Si]2(C)C)=C1CC.
What is the InChIKey of bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The InChIKey is DRRKPZSPDJXCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22BSi.2CH3.Sn/c2*1-6-11-9-14(4,5)10-12(11)13(7-2)8-3;;;/h2*10H,6-8H2,1-5H3;2*1H3;.
What are the key properties of bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane has a molecular weight of 559.19 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane is sourced from PubChem (CID 15495136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).