[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate

C22H46O2SiSn — CID 135007283

IUPAC[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(CC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-6-10(12-9(2)11)7-8-13(3,4)5;3*1-3-4-2;/h7,10H,6H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyTWDPJJBORVZXRB-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.52
Rot. Bonds14

About [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate

[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate (PubChem CID 135007283) has the molecular formula C22H46O2SiSn and a molecular weight of 489.41 g/mol. Its IUPAC name is [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate
PubChem CID135007283
Molecular FormulaC22H46O2SiSn
Molecular Weight489.41 g/mol
Exact Mass490.23
IUPAC Name[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(CC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-6-10(12-9(2)11)7-8-13(3,4)5;3*1-3-4-2;/h7,10H,6H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyTWDPJJBORVZXRB-UHFFFAOYSA-N
XLogP7.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate?
The IUPAC name of [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate (CID 135007283) is [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate.
What is the SMILES notation for [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate?
The canonical SMILES for [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate is CCCC[Sn](CCCC)(CCCC)/C(=C\C(CC)OC(C)=O)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate?
The InChIKey is TWDPJJBORVZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2Si.3C4H9.Sn/c1-6-10(12-9(2)11)7-8-13(3,4)5;3*1-3-4-2;/h7,10H,6H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate?
[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate has a molecular weight of 489.41 g/mol, XLogP of 7.52, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate is sourced from PubChem (CID 135007283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).