tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane

C25H54O3SiSn — CID 10347502

IUPACtert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C\C(CCO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC
InChIInChI=1S/C13H27O3Si.3C4H9.Sn/c1-8-12(15-11-14-5)9-10-16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,12H,9-11H2,2-7H3;3*1,3-4H2,2H3;
InChIKeyLZGHMTCQEIPMST-UHFFFAOYSA-N
MW549.50 g/mol
LogP8.33
Rot. Bonds18

About tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane

tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane (PubChem CID 10347502) has the molecular formula C25H54O3SiSn and a molecular weight of 549.50 g/mol. Its IUPAC name is tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
PubChem CID10347502
Molecular FormulaC25H54O3SiSn
Molecular Weight549.50 g/mol
Exact Mass550.29
IUPAC Nametert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C\C(CCO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC
InChIInChI=1S/C13H27O3Si.3C4H9.Sn/c1-8-12(15-11-14-5)9-10-16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,12H,9-11H2,2-7H3;3*1,3-4H2,2H3;
InChIKeyLZGHMTCQEIPMST-UHFFFAOYSA-N
XLogP8.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.50
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane (CID 10347502) is tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane is CCCC[Sn](/C=C\C(CCO[Si](C)(C)C(C)(C)C)OCOC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane?
The InChIKey is LZGHMTCQEIPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O3Si.3C4H9.Sn/c1-8-12(15-11-14-5)9-10-16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,12H,9-11H2,2-7H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane has a molecular weight of 549.50 g/mol, XLogP of 8.33, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10347502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).