[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane

C23H50OSiSn — CID 177428281

IUPAC[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CC[Si](C)(C)C)OCC
InChIInChI=1S/C11H23OSi.3C4H9.Sn/c1-6-8-11(12-7-2)9-10-13(3,4)5;3*1-3-4-2;/h8,11H,7,9-10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyMQPGARAKXCMNQT-UHFFFAOYSA-N
MW489.45 g/mol
LogP8.45
Rot. Bonds16

About [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane

[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane (PubChem CID 177428281) has the molecular formula C23H50OSiSn and a molecular weight of 489.45 g/mol. Its IUPAC name is [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane
PubChem CID177428281
Molecular FormulaC23H50OSiSn
Molecular Weight489.45 g/mol
Exact Mass490.27
IUPAC Name[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CC[Si](C)(C)C)OCC
InChIInChI=1S/C11H23OSi.3C4H9.Sn/c1-6-8-11(12-7-2)9-10-13(3,4)5;3*1-3-4-2;/h8,11H,7,9-10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyMQPGARAKXCMNQT-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4S,5R,6E)-5-hydroxy-4-methyl-7-tributylstannylocta-2,6-dienoate
CID 53362347
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
(E,3R,4S)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
CID 135593950
tributyl(1-ethoxyethyl)stannane
CID 10926565
trimethyl-[(E)-1-tributylstannyloct-1-enyl]silane
CID 177468758
trimethyl-[(Z)-1-tributylstannyl-3-tri(propan-2-yl)silyloxyprop-1-enyl]silane
CID 10348129
tributyl(diethoxymethyl)stannane
CID 4197765
tributyl(1-ethoxypentyl)stannane
CID 87709895
trimethyl-[(E)-4-methyl-1-tributylstannyloct-1-enoxy]silane
CID 88765999
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261

Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane (CID 177428281) is [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)/C(C)=C/C(CC[Si](C)(C)C)OCC.
What is the InChIKey of [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane?
The InChIKey is MQPGARAKXCMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OSi.3C4H9.Sn/c1-6-8-11(12-7-2)9-10-13(3,4)5;3*1-3-4-2;/h8,11H,7,9-10H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane?
[(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane has a molecular weight of 489.45 g/mol, XLogP of 8.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethoxy-5-tributylstannylhex-4-enyl]-trimethylsilane is sourced from PubChem (CID 177428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).