[2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane

C32H66B2Si4Sn — CID 625425

IUPAC[2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C)[Sn]2(C([Si](C)(C)C)=C1CC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C2[Si](C)(C)C
InChIInChI=1S/2C16H33BSi2.Sn/c2*1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;/h2*10-12H2,1-9H3;
InChIKeyFMCFNKLDAJYULY-UHFFFAOYSA-N
MW703.56 g/mol
LogP11.28
Rot. Bonds12

About [2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane

[2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane (PubChem CID 625425) has the molecular formula C32H66B2Si4Sn and a molecular weight of 703.56 g/mol. Its IUPAC name is [2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[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-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane
PubChem CID625425
Molecular FormulaC32H66B2Si4Sn
Molecular Weight703.56 g/mol
Exact Mass704.34
IUPAC Name[2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C)[Sn]2(C([Si](C)(C)C)=C1CC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C2[Si](C)(C)C
InChIInChI=1S/2C16H33BSi2.Sn/c2*1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;/h2*10-12H2,1-9H3;
InChIKeyFMCFNKLDAJYULY-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 ≤ 500703.56
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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Frequently Asked Questions

What is the IUPAC name of [2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[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-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane (CID 625425) is [2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[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-stannaspiro[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-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane is CCB(CC)C1=C([Si](C)(C)C)[Sn]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-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane?
The InChIKey is FMCFNKLDAJYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H33BSi2.Sn/c2*1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;/h2*10-12H2,1-9H3;.
What are the key properties of [2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane?
[2,7-bis(diethylboranyl)-3,8-diethyl-1,4,6-tris(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane has a molecular weight of 703.56 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-stannaspiro[4.4]nona-1,3,6,8-tetraen-9-yl]-trimethylsilane is sourced from PubChem (CID 625425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).