[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane

C20H46Si6 — CID 101049429

IUPAC[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane
SMILESCC[Si]12C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1(CC)C([Si](C)(C)C)=C2[Si](C)(C)C
InChIInChI=1S/C20H46Si6/c1-15-25-17(21(3,4)5)19(23(9,10)11)26(25,16-2)20(24(12,13)14)18(25)22(6,7)8/h15-16H2,1-14H3
InChIKeyYTCAROITWZBGRY-UHFFFAOYSA-N
MW455.10 g/mol
LogP7.29
Rot. Bonds6

About [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane

[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane (PubChem CID 101049429) has the molecular formula C20H46Si6 and a molecular weight of 455.10 g/mol. Its IUPAC name is [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane
PubChem CID101049429
Molecular FormulaC20H46Si6
Molecular Weight455.10 g/mol
Exact Mass454.22
IUPAC Name[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane
SMILESCC[Si]12C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1(CC)C([Si](C)(C)C)=C2[Si](C)(C)C
InChIInChI=1S/C20H46Si6/c1-15-25-17(21(3,4)5)19(23(9,10)11)26(25,16-2)20(24(12,13)14)18(25)22(6,7)8/h15-16H2,1-14H3
InChIKeyYTCAROITWZBGRY-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.10
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane?
The IUPAC name of [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane (CID 101049429) is [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane.
What is the SMILES notation for [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane?
The canonical SMILES for [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane is CC[Si]12C([Si](C)(C)C)=C([Si](C)(C)C)[Si]1(CC)C([Si](C)(C)C)=C2[Si](C)(C)C.
What is the InChIKey of [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane?
The InChIKey is YTCAROITWZBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46Si6/c1-15-25-17(21(3,4)5)19(23(9,10)11)26(25,16-2)20(24(12,13)14)18(25)22(6,7)8/h15-16H2,1-14H3.
What are the key properties of [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane?
[1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane has a molecular weight of 455.10 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diethyl-3,5,6-tris(trimethylsilyl)-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-2-yl]-trimethylsilane is sourced from PubChem (CID 101049429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).