[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane

C20H41BSiSn — CID 634639

IUPAC[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C17H32BSi.3CH3.Sn/c1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;;/h14H,8-12H2,1-7H3;3*1H3;
InChIKeyQEYAGSSJVKYKJQ-UHFFFAOYSA-N
MW439.16 g/mol
LogP7.18
Rot. Bonds8

About [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane

[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane (PubChem CID 634639) has the molecular formula C20H41BSiSn and a molecular weight of 439.16 g/mol. Its IUPAC name is [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane
PubChem CID634639
Molecular FormulaC20H41BSiSn
Molecular Weight439.16 g/mol
Exact Mass440.21
IUPAC Name[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC
InChIInChI=1S/C17H32BSi.3CH3.Sn/c1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;;/h14H,8-12H2,1-7H3;3*1H3;
InChIKeyQEYAGSSJVKYKJQ-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.16
LogP ≤ 57.18
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, 2-t-butyl-3-(diethylboryl)-4-ethyl-1,1-dimethyl-5-trimethylstannyl-
CID 634330
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
CID 15151073
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 69649590
Trimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 91244741
CID 12023114
CID 12023114
Dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
CID 12156807
(2,5-Dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
CID 15151071
Bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
CID 15495139
[3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane
CID 15495149
Dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silane
CID 21041956
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)stannol-3-yl]borane
CID 21598076
(5-Butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
CID 21605716

Frequently Asked Questions

What is the IUPAC name of [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane?
The IUPAC name of [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane (CID 634639) is [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane.
What is the SMILES notation for [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane?
The canonical SMILES for [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane is CCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C)=C1CC.
What is the InChIKey of [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane?
The InChIKey is QEYAGSSJVKYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BSi.3CH3.Sn/c1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;;/h14H,8-12H2,1-7H3;3*1H3;.
What are the key properties of [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane?
[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane has a molecular weight of 439.16 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-trimethylstannane is sourced from PubChem (CID 634639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).