(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane

C19H39BSiSn — CID 634330

IUPAC(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
SMILESCCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C16H30BSi.3CH3.Sn/c1-9-13-12-18(7,8)15(16(4,5)6)14(13)17(10-2)11-3;;;;/h9-11H2,1-8H3;3*1H3;
InChIKeyYDWURDIRMSSJAP-UHFFFAOYSA-N
MW425.13 g/mol
LogP6.79
Rot. Bonds5

About (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane

(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane (PubChem CID 634330) has the molecular formula C19H39BSiSn and a molecular weight of 425.13 g/mol. Its IUPAC name is (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane.

Molecular Properties

Compound Name(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
PubChem CID634330
Molecular FormulaC19H39BSiSn
Molecular Weight425.13 g/mol
Exact Mass426.19
IUPAC Name(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
SMILESCCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C16H30BSi.3CH3.Sn/c1-9-13-12-18(7,8)15(16(4,5)6)14(13)17(10-2)11-3;;;;/h9-11H2,1-8H3;3*1H3;
InChIKeyYDWURDIRMSSJAP-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.13
LogP ≤ 56.79
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-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
Diethyl-(4-ethyl-1,1,2,5-tetramethylsilol-3-yl)borane
CID 5325132
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 140220420
CID 12023114
CID 12023114
(2,5-Ditert-butyl-4-ethyl-1,1-dimethylstannol-3-yl)-diethylborane
CID 12412362
(2,5-Dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
CID 15151071
(2,5-Ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
CID 15151072
Bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495137
Bis(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495138
(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
(2,5-Dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane
CID 102279336

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane?
The IUPAC name of (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane (CID 634330) is (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane.
What is the SMILES notation for (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane?
The canonical SMILES for (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane is CCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC.
What is the InChIKey of (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane?
The InChIKey is YDWURDIRMSSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BSi.3CH3.Sn/c1-9-13-12-18(7,8)15(16(4,5)6)14(13)17(10-2)11-3;;;;/h9-11H2,1-8H3;3*1H3;.
What are the key properties of (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane?
(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane has a molecular weight of 425.13 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane is sourced from PubChem (CID 634330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).