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

C28H51BSi2Sn — CID 15495143

IUPAC[3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane
SMILESCCCCC#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#CCCCC)[Sn]1(C)C
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-19-21-28(6,7)23-25(12-3)26(27(13-4)14-5)24-29(8,9)22-20-18-16-11-2;;;/h10-18H2,1-9H3;2*1H3;
InChIKeyUQBJHAHUWDBUMZ-UHFFFAOYSA-N
MW573.41 g/mol
LogP8.82
Rot. Bonds10

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

[3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane (PubChem CID 15495143) has the molecular formula C28H51BSi2Sn and a molecular weight of 573.41 g/mol. Its IUPAC name is [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane.

Molecular Properties

Compound Name[3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane
PubChem CID15495143
Molecular FormulaC28H51BSi2Sn
Molecular Weight573.41 g/mol
Exact Mass574.26
IUPAC Name[3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane
SMILESCCCCC#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#CCCCC)[Sn]1(C)C
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-19-21-28(6,7)23-25(12-3)26(27(13-4)14-5)24-29(8,9)22-20-18-16-11-2;;;/h10-18H2,1-9H3;2*1H3;
InChIKeyUQBJHAHUWDBUMZ-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.41
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 12412363
(1,1-Dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 154716772
(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylsilol-2-yl)-trimethylsilane
CID 15151075
(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
[3-Diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane
CID 15495142
[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
[3-Diethylboranyl-5-[dimethyl(5-methylhex-1-ynyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-dimethyl-(5-methylhex-1-ynyl)silane
CID 15495145
[3-Diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495147
(2-Butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
CID 15495148
[3-Diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
CID 15495150
2-[3-Diethylboranyl-4-ethyl-2,5-bis(trimethylsilyl)-1-(2-trimethylsilylethynyl)silol-1-yl]ethynyl-trimethylsilane
CID 21598106
(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-trimethylsilane
CID 21605718

Frequently Asked Questions

What is the IUPAC name of [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane?
The IUPAC name of [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane (CID 15495143) is [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane.
What is the SMILES notation for [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane?
The canonical SMILES for [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane is CCCCC#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#CCCCC)[Sn]1(C)C.
What is the InChIKey of [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane?
The InChIKey is UQBJHAHUWDBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-19-21-28(6,7)23-25(12-3)26(27(13-4)14-5)24-29(8,9)22-20-18-16-11-2;;;/h10-18H2,1-9H3;2*1H3;.
What are the key properties of [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane?
[3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane has a molecular weight of 573.41 g/mol, XLogP of 8.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane is sourced from PubChem (CID 15495143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).