methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate

C24H50O3SiSn — CID 11800422

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4;3*1-3-4-2;/h9H,8,10H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyOSAORFWVLMIXIH-UHFFFAOYSA-N
MW533.46 g/mol
LogP7.89
Rot. Bonds15

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate (PubChem CID 11800422) has the molecular formula C24H50O3SiSn and a molecular weight of 533.46 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
PubChem CID11800422
Molecular FormulaC24H50O3SiSn
Molecular Weight533.46 g/mol
Exact Mass534.26
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4;3*1-3-4-2;/h9H,8,10H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyOSAORFWVLMIXIH-UHFFFAOYSA-N
XLogP7.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.46
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate (CID 11800422) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The InChIKey is OSAORFWVLMIXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4;3*1-3-4-2;/h9H,8,10H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate has a molecular weight of 533.46 g/mol, XLogP of 7.89, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate is sourced from PubChem (CID 11800422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).