ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate

C24H50O3SiSn — CID 23252777

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

About ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate

ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate (PubChem CID 23252777) has the molecular formula C24H50O3SiSn and a molecular weight of 533.46 g/mol. Its IUPAC name is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate
PubChem CID23252777
Molecular FormulaC24H50O3SiSn
Molecular Weight533.46 g/mol
Exact Mass534.26
IUPAC Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23O3Si.3C4H9.Sn/c1-7-14-11(13)9-8-10-15-16(5,6)12(2,3)4;3*1-3-4-2;/h9H,7,10H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyDRLOXCSUTHUKRK-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 ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate?
The IUPAC name of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate (CID 23252777) is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate?
The InChIKey is DRLOXCSUTHUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3Si.3C4H9.Sn/c1-7-14-11(13)9-8-10-15-16(5,6)12(2,3)4;3*1-3-4-2;/h9H,7,10H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate?
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-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 ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enoate is sourced from PubChem (CID 23252777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).