[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

C₃₂H₆₆B₂GeSi₄ — CID 154716234

About [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

[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 (PubChem CID 154716234) has the molecular formula C₃₂H₆₆B₂GeSi₄ and a molecular weight of 657.46 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 154716234
• Molecular Formula: C₃₂H₆₆B₂GeSi₄
• Molecular Weight: 657.46 g/mol
• Exact Mass: 658.36
• IUPAC Name: [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
• SMILES: CCB(CC)C1=C([Si](C)(C)C)[Ge]2(C([Si](C)(C)C)=C1CC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C2[Si](C)(C)C
• InChI: InChI=1S/C32H66B2GeSi4/c1-19-25-27(33(21-3)22-4)31(38(13,14)15)35(29(25)36(7,8)9)30(37(10,11)12)26(20-2)28(34(23-5)24-6)32(35)39(16,17)18/h19-24H2,1-18H3
• InChIKey: USBABUKAMKDSLW-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.46
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CCB(CC)C1=C([Si](C)(C)C)[Ge]2(C([Si](C)(C)C)=C1CC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C2[Si](C)(C)C.

What is the InChIKey of [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?

The InChIKey is USBABUKAMKDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66B2GeSi4/c1-19-25-27(33(21-3)22-4)31(38(13,14)15)35(29(25)36(7,8)9)30(37(10,11)12)26(20-2)28(34(23-5)24-6)32(35)39(16,17)18/h19-24H2,1-18H3.

What are the key properties of [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?

[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 has a molecular weight of 657.46 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 [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 is sourced from PubChem (CID 154716234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154716234 — identifiers, structure, computed properties (public domain)

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