[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane

C28H51BSi2Sn — CID 15495144

IUPAC[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C#CC(C)(C)C)[Sn](C)(C)C([Si](C)(C)C#CC(C)(C)C)=C1CC
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-14-23(21-28(10,11)19-17-25(4,5)6)24(27(15-2)16-3)22-29(12,13)20-18-26(7,8)9;;;/h14-16H2,1-13H3;2*1H3;
InChIKeyVKYPOYNZZXRVRN-UHFFFAOYSA-N
MW573.41 g/mol
LogP8.54
Rot. Bonds6

About [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane

[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane (PubChem CID 15495144) has the molecular formula C28H51BSi2Sn and a molecular weight of 573.41 g/mol. Its IUPAC name is [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane.

Molecular Properties

Compound Name[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane
PubChem CID15495144
Molecular FormulaC28H51BSi2Sn
Molecular Weight573.41 g/mol
Exact Mass574.26
IUPAC Name[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane
SMILESCCB(CC)C1=C([Si](C)(C)C#CC(C)(C)C)[Sn](C)(C)C([Si](C)(C)C#CC(C)(C)C)=C1CC
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-14-23(21-28(10,11)19-17-25(4,5)6)24(27(15-2)16-3)22-29(12,13)20-18-26(7,8)9;;;/h14-16H2,1-13H3;2*1H3;
InChIKeyVKYPOYNZZXRVRN-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.41
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The IUPAC name of [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane (CID 15495144) is [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane.
What is the SMILES notation for [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The canonical SMILES for [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane is CCB(CC)C1=C([Si](C)(C)C#CC(C)(C)C)[Sn](C)(C)C([Si](C)(C)C#CC(C)(C)C)=C1CC.
What is the InChIKey of [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The InChIKey is VKYPOYNZZXRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45BSi2.2CH3.Sn/c1-14-23(21-28(10,11)19-17-25(4,5)6)24(27(15-2)16-3)22-29(12,13)20-18-26(7,8)9;;;/h14-16H2,1-13H3;2*1H3;.
What are the key properties of [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
[3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane has a molecular weight of 573.41 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diethylboranyl-5-[3,3-dimethylbut-1-ynyl(dimethyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-(3,3-dimethylbut-1-ynyl)-dimethylsilane is sourced from PubChem (CID 15495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).