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

C23H48O2SiSn — CID 135007439

IUPAC[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(CCC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H21O2Si.3C4H9.Sn/c1-6-7-11(13-10(2)12)8-9-14(3,4)5;3*1-3-4-2;/h8,11H,6-7H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyADBKOIIAGSZBJD-UHFFFAOYSA-N
MW503.43 g/mol
LogP7.91
Rot. Bonds15

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

[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate (PubChem CID 135007439) has the molecular formula C23H48O2SiSn and a molecular weight of 503.43 g/mol. Its IUPAC name is [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate
PubChem CID135007439
Molecular FormulaC23H48O2SiSn
Molecular Weight503.43 g/mol
Exact Mass504.24
IUPAC Name[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(CCC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H21O2Si.3C4H9.Sn/c1-6-7-11(13-10(2)12)8-9-14(3,4)5;3*1-3-4-2;/h8,11H,6-7H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyADBKOIIAGSZBJD-UHFFFAOYSA-N
XLogP7.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(Z)-1-tributylstannyl-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135007283
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
[(E)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 10910548
Ethyl 2-tri(propan-2-yl)silylhexa-2,3-dienoate
CID 25185481
[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate
CID 45113979
[(E)-1-triethylsilylhept-1-en-3-yl] acetate
CID 101544363
[(E)-1-trimethylsilylhept-1-en-3-yl] acetate
CID 101544364
[(E)-1-triethylsilylhex-1-en-3-yl] acetate
CID 101544372
[(E)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 101544375

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate?
The IUPAC name of [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate (CID 135007439) is [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate.
What is the SMILES notation for [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate?
The canonical SMILES for [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate is CCCC[Sn](CCCC)(CCCC)/C(=C\C(CCC)OC(C)=O)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate?
The InChIKey is ADBKOIIAGSZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2Si.3C4H9.Sn/c1-6-7-11(13-10(2)12)8-9-14(3,4)5;3*1-3-4-2;/h8,11H,6-7H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate?
[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate has a molecular weight of 503.43 g/mol, XLogP of 7.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate is sourced from PubChem (CID 135007439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).