(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane

C24H51BSi2Sn — CID 154716772

IUPAC(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
SMILESCCCC[Sn]1(CCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C
InChIInChI=1S/C16H33BSi2.2C4H9.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-4-2;/h10-12H2,1-9H3;2*1,3-4H2,2H3;
InChIKeyAPLZIYIAVSINCR-UHFFFAOYSA-N
MW525.37 g/mol
LogP8.96
Rot. Bonds12

About (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane

(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane (PubChem CID 154716772) has the molecular formula C24H51BSi2Sn and a molecular weight of 525.37 g/mol. Its IUPAC name is (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
PubChem CID154716772
Molecular FormulaC24H51BSi2Sn
Molecular Weight525.37 g/mol
Exact Mass526.26
IUPAC Name(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
SMILESCCCC[Sn]1(CCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C
InChIInChI=1S/C16H33BSi2.2C4H9.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-4-2;/h10-12H2,1-9H3;2*1,3-4H2,2H3;
InChIKeyAPLZIYIAVSINCR-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.37
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 12412363
[3-Bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane
CID 135081385
[4-Bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane
CID 135081386
[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
(3-Diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
CID 154716773
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
Ethyl-[[1-ethyl-3,4-dimethyl-2,5-bis(trimethylsilyl)silol-1-yl]methyl]-dimethylsilane
CID 54060859
Ethyl-[4-ethyl-1,1-dimethyl-2,5-bis(trimethylsilyl)silol-3-yl]-dimethylsilane
CID 54397224
(1,1-Diethyl-3,4-dimethyl-5-trimethylsilylsilol-2-yl)-trimethylsilane
CID 54445215
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

Frequently Asked Questions

What is the IUPAC name of (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The IUPAC name of (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane (CID 154716772) is (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane.
What is the SMILES notation for (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The canonical SMILES for (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane is CCCC[Sn]1(CCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C.
What is the InChIKey of (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The InChIKey is APLZIYIAVSINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BSi2.2C4H9.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-4-2;/h10-12H2,1-9H3;2*1,3-4H2,2H3;.
What are the key properties of (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
(1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane has a molecular weight of 525.37 g/mol, XLogP of 8.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dibutyl-3-diethylboranyl-4-ethyl-5-trimethylsilylstannol-2-yl)-trimethylsilane is sourced from PubChem (CID 154716772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).