[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane

C26H51BSi4Sn — CID 15495150

IUPAC[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#C[Si](C)(C)C)[Sn]2(C)C
InChIInChI=1S/C24H45BSi4.2CH3.Sn/c1-14-21(19-28(10,11)18-17-26(4,5)6)22-20-29(12,13)24(27(7,8)9)23(22)25(15-2)16-3;;;/h14-16H2,1-13H3;2*1H3;
InChIKeyLEHXFELYCBRGAG-UHFFFAOYSA-N
MW605.56 g/mol
LogP8.51
Rot. Bonds6

About [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane

[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane (PubChem CID 15495150) has the molecular formula C26H51BSi4Sn and a molecular weight of 605.56 g/mol. Its IUPAC name is [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
PubChem CID15495150
Molecular FormulaC26H51BSi4Sn
Molecular Weight605.56 g/mol
Exact Mass606.22
IUPAC Name[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#C[Si](C)(C)C)[Sn]2(C)C
InChIInChI=1S/C24H45BSi4.2CH3.Sn/c1-14-21(19-28(10,11)18-17-26(4,5)6)22-20-29(12,13)24(27(7,8)9)23(22)25(15-2)16-3;;;/h14-16H2,1-13H3;2*1H3;
InChIKeyLEHXFELYCBRGAG-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.56
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane with MolForge

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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 12412363
(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
[2,2-di(propan-2-yl)-3-trimethylsilyl-5,6-dihydro-4H-cyclopenta[c]silol-1-yl]-trimethylsilane
CID 10904261
(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-11-ethyl-5,5,7,7,9,9-hexamethyl-10-trimethylstannyl-5,7,9-trisilatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-4-yl)-trimethylsilane
CID 15495134
Trimethyl-(3,11,12-triethyl-5,5,7,7,9,9-hexamethyl-4-trimethylstannyl-5,7,9-trisila-12-boratricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,10-tetraen-10-yl)silane
CID 15495135
Bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495136
[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

Frequently Asked Questions

What is the IUPAC name of [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane?
The IUPAC name of [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane (CID 15495150) is [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane.
What is the SMILES notation for [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane?
The canonical SMILES for [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane is CCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#C[Si](C)(C)C)[Sn]2(C)C.
What is the InChIKey of [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane?
The InChIKey is LEHXFELYCBRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45BSi4.2CH3.Sn/c1-14-21(19-28(10,11)18-17-26(4,5)6)22-20-29(12,13)24(27(7,8)9)23(22)25(15-2)16-3;;;/h14-16H2,1-13H3;2*1H3;.
What are the key properties of [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane?
[3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane has a molecular weight of 605.56 g/mol, XLogP of 8.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane is sourced from PubChem (CID 15495150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).