bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane

C34H66B2Si2Sn — CID 15495137

IUPACbis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
SMILESCCCCC1=C(B(CC)CC)C(CC)=C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCCC)[Si]2(C)C)[Si]1(C)C
InChIInChI=1S/2C16H30BSi.2CH3.Sn/c2*1-7-11-12-15-16(17(9-3)10-4)14(8-2)13-18(15,5)6;;;/h2*7-12H2,1-6H3;2*1H3;
InChIKeyJAXBTKAONLHWSV-UHFFFAOYSA-N
MW671.41 g/mol
LogP11.91
Rot. Bonds16

About bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane

bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane (PubChem CID 15495137) has the molecular formula C34H66B2Si2Sn and a molecular weight of 671.41 g/mol. Its IUPAC name is bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane.

Molecular Properties

Compound Namebis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
PubChem CID15495137
Molecular FormulaC34H66B2Si2Sn
Molecular Weight671.41 g/mol
Exact Mass672.39
IUPAC Namebis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
SMILESCCCCC1=C(B(CC)CC)C(CC)=C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCCC)[Si]2(C)C)[Si]1(C)C
InChIInChI=1S/2C16H30BSi.2CH3.Sn/c2*1-7-11-12-15-16(17(9-3)10-4)14(8-2)13-18(15,5)6;;;/h2*7-12H2,1-6H3;2*1H3;
InChIKeyJAXBTKAONLHWSV-UHFFFAOYSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.41
LogP ≤ 511.91
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

1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane
CID 15327904
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
1-Silacyclopentadiene, 2-t-butyl-3-(diethylboryl)-4-ethyl-1,1-dimethyl-5-trimethylstannyl-
CID 634330
CID 12023114
CID 12023114
(2,5-Dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
CID 15151071
Bis(3-diethylboranyl-4-ethyl-1,1-dimethyl-5-trimethylstannylsilol-2-yl)-dimethylsilane
CID 15495132
Bis(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495138
Bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
CID 15495139
[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
(2-Butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
CID 15495148
(2-Diethylboranyl-3,8-diethyl-1,4,6,9-tetramethyl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-7-yl)-diethylborane
CID 21598100
(5-Butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
CID 21605716

Frequently Asked Questions

What is the IUPAC name of bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The IUPAC name of bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane (CID 15495137) is bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane.
What is the SMILES notation for bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The canonical SMILES for bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane is CCCCC1=C(B(CC)CC)C(CC)=C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCCC)[Si]2(C)C)[Si]1(C)C.
What is the InChIKey of bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
The InChIKey is JAXBTKAONLHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30BSi.2CH3.Sn/c2*1-7-11-12-15-16(17(9-3)10-4)14(8-2)13-18(15,5)6;;;/h2*7-12H2,1-6H3;2*1H3;.
What are the key properties of bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane?
bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane has a molecular weight of 671.41 g/mol, XLogP of 11.91, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane is sourced from PubChem (CID 15495137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).