bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane

C32H66B2Si3Sn2 — CID 15495132

IUPACbis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C2=C(B(CC)CC)C(CC)=C([Sn](C)(C)C)[Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C26H48B2Si3.6CH3.2Sn/c1-13-21-19-29(7,8)25(23(21)27(15-3)16-4)31(11,12)26-24(28(17-5)18-6)22(14-2)20-30(26,9)10;;;;;;;;/h13-18H2,1-12H3;6*1H3;;
InChIKeyKCONAMKZQJWGHC-UHFFFAOYSA-N
MW794.18 g/mol
LogP11.28
Rot. Bonds12

About bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane

bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane (PubChem CID 15495132) has the molecular formula C32H66B2Si3Sn2 and a molecular weight of 794.18 g/mol. Its IUPAC name is bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
PubChem CID15495132
Molecular FormulaC32H66B2Si3Sn2
Molecular Weight794.18 g/mol
Exact Mass796.27
IUPAC Namebis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C2=C(B(CC)CC)C(CC)=C([Sn](C)(C)C)[Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C26H48B2Si3.6CH3.2Sn/c1-13-21-19-29(7,8)25(23(21)27(15-3)16-4)31(11,12)26-24(28(17-5)18-6)22(14-2)20-30(26,9)10;;;;;;;;/h13-18H2,1-12H3;6*1H3;;
InChIKeyKCONAMKZQJWGHC-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.18
LogP ≤ 511.28
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
[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
(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
Bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495136
Bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495137
Bis(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495138
[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

Frequently Asked Questions

What is the IUPAC name of bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane?
The IUPAC name of bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane (CID 15495132) is bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane.
What is the SMILES notation for bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane?
The canonical SMILES for bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane is CCB(CC)C1=C([Si](C)(C)C2=C(B(CC)CC)C(CC)=C([Sn](C)(C)C)[Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC.
What is the InChIKey of bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane?
The InChIKey is KCONAMKZQJWGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48B2Si3.6CH3.2Sn/c1-13-21-19-29(7,8)25(23(21)27(15-3)16-4)31(11,12)26-24(28(17-5)18-6)22(14-2)20-30(26,9)10;;;;;;;;/h13-18H2,1-12H3;6*1H3;;.
What are the key properties of bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane?
bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane has a molecular weight of 794.18 g/mol, XLogP of 11.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane is sourced from PubChem (CID 15495132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).