(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

C26H51BSi4Sn — CID 15495134

IUPAC(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
SMILESCCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C1=C([Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C23H42BSi4.3CH3.Sn/c1-13-17-16-26(7,8)21-18(17)19-20(24(14-2)15-3)23(25(4,5)6)28(11,12)22(19)27(21,9)10;;;;/h13-15H2,1-12H3;3*1H3;
InChIKeyHGJXHZLIWKGUDD-UHFFFAOYSA-N
MW605.56 g/mol
LogP8.81
Rot. Bonds6

About (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

(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 (PubChem CID 15495134) has the molecular formula C26H51BSi4Sn and a molecular weight of 605.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID15495134
Molecular FormulaC26H51BSi4Sn
Molecular Weight605.56 g/mol
Exact Mass606.22
IUPAC Name(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
SMILESCCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C1=C([Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C23H42BSi4.3CH3.Sn/c1-13-17-16-26(7,8)21-18(17)19-20(24(14-2)15-3)23(25(4,5)6)28(11,12)22(19)27(21,9)10;;;;/h13-15H2,1-12H3;3*1H3;
InChIKeyHGJXHZLIWKGUDD-UHFFFAOYSA-N
XLogP8.81
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 ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
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
[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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCB(CC)C1=C([Si](C)(C)C)[Si](C)(C)C2=C1C1=C([Si]2(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC.
What is the InChIKey of (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?
The InChIKey is HGJXHZLIWKGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42BSi4.3CH3.Sn/c1-13-17-16-26(7,8)21-18(17)19-20(24(14-2)15-3)23(25(4,5)6)28(11,12)22(19)27(21,9)10;;;;/h13-15H2,1-12H3;3*1H3;.
What are the key properties of (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?
(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 has a molecular weight of 605.56 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 15495134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).