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

C20H35BSi2Sn — CID 15495142

IUPAC[3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane
SMILESC#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#C)[Sn]1(C)C
InChIInChI=1S/C18H29BSi2.2CH3.Sn/c1-10-17(15-20(6,7)13-4)18(19(11-2)12-3)16-21(8,9)14-5;;;/h4-5H,10-12H2,1-3,6-9H3;2*1H3;
InChIKeyZAMUWJFTYHPBIE-UHFFFAOYSA-N
MW461.20 g/mol
LogP5.70
Rot. Bonds6

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

[3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane (PubChem CID 15495142) has the molecular formula C20H35BSi2Sn and a molecular weight of 461.20 g/mol. Its IUPAC name is [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane.

Molecular Properties

Compound Name[3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane
PubChem CID15495142
Molecular FormulaC20H35BSi2Sn
Molecular Weight461.20 g/mol
Exact Mass462.14
IUPAC Name[3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane
SMILESC#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#C)[Sn]1(C)C
InChIInChI=1S/C18H29BSi2.2CH3.Sn/c1-10-17(15-20(6,7)13-4)18(19(11-2)12-3)16-21(8,9)14-5;;;/h4-5H,10-12H2,1-3,6-9H3;2*1H3;
InChIKeyZAMUWJFTYHPBIE-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.20
LogP ≤ 55.70
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'}

Analyze [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane with MolForge

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Launch Full Analysis

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
Borane, [3,8-diethyl-1,4,6,9-tetrakis(trimethylsilyl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene-2,7-diyl]bis[diethyl-
CID 625425
3-diethylboranyl-4-ethyl-1-N,1-N,1-N',1-N',2,5-hexakis(trimethylsilyl)stannole-1,1-diamine
CID 12104014
(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylsilol-2-yl)-trimethylsilane
CID 15151075
Bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
CID 15495132
(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
Bis(4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495136
[3-Diethylboranyl-5-[(4-diethylboranyl-3-ethyl-1,1-dimethyl-5-trimethylsilylsilol-2-yl)-dimethylstannyl]-4-ethyl-1,1-dimethylsilol-2-yl]-trimethylsilane
CID 15495141
[3-Diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane
CID 15495143
[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(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495147

Frequently Asked Questions

What is the IUPAC name of [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane?
The IUPAC name of [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane (CID 15495142) is [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane.
What is the SMILES notation for [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane?
The canonical SMILES for [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane is C#C[Si](C)(C)C1=C(CC)C(B(CC)CC)=C([Si](C)(C)C#C)[Sn]1(C)C.
What is the InChIKey of [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane?
The InChIKey is ZAMUWJFTYHPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BSi2.2CH3.Sn/c1-10-17(15-20(6,7)13-4)18(19(11-2)12-3)16-21(8,9)14-5;;;/h4-5H,10-12H2,1-3,6-9H3;2*1H3;.
What are the key properties of [3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane?
[3-diethylboranyl-4-ethyl-5-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane has a molecular weight of 461.20 g/mol, XLogP of 5.70, 6 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-[ethynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-ethynyl-dimethylsilane is sourced from PubChem (CID 15495142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).