[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate

C26H54O3SiSn — CID 134947536

IUPAC[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CC(C)OC(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27O3Si.3C4H9.Sn/c1-12(17-13(2)15)10-8-9-11-16-18(6,7)14(3,4)5;3*1-3-4-2;/h8,12H,10-11H2,1-7H3;3*1,3-4H2,2H3;
InChIKeyKVDYPVOOZFQXHK-UHFFFAOYSA-N
MW561.51 g/mol
LogP8.66
Rot. Bonds16

About [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate

[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate (PubChem CID 134947536) has the molecular formula C26H54O3SiSn and a molecular weight of 561.51 g/mol. Its IUPAC name is [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate
PubChem CID134947536
Molecular FormulaC26H54O3SiSn
Molecular Weight561.51 g/mol
Exact Mass562.29
IUPAC Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CC(C)OC(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27O3Si.3C4H9.Sn/c1-12(17-13(2)15)10-8-9-11-16-18(6,7)14(3,4)5;3*1-3-4-2;/h8,12H,10-11H2,1-7H3;3*1,3-4H2,2H3;
InChIKeyKVDYPVOOZFQXHK-UHFFFAOYSA-N
XLogP8.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.51
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 11800422
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
[(2E,4R)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 15942569
[(E)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102029881
[(E,3R)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102296205
[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 134939781
tert-butyl (2E,4R)-4-triethylsilyloxyhepta-2,6-dienoate
CID 135032781
2-Hexenoic acid, 5-[5-(t-butyldimethylsilyloxy)-2-hexenoyloxy]-, methyl ester
CID 5373595

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate?
The IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate (CID 134947536) is [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate.
What is the SMILES notation for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate?
The canonical SMILES for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate is CCCC[Sn](CCCC)(CCCC)/C(=C\CC(C)OC(C)=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate?
The InChIKey is KVDYPVOOZFQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3Si.3C4H9.Sn/c1-12(17-13(2)15)10-8-9-11-16-18(6,7)14(3,4)5;3*1-3-4-2;/h8,12H,10-11H2,1-7H3;3*1,3-4H2,2H3;.
What are the key properties of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate?
[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate has a molecular weight of 561.51 g/mol, XLogP of 8.66, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate is sourced from PubChem (CID 134947536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).