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

C22H46O2SiSn — CID 155937156

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h6,8H,9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyAEUDJNJGLMWDMU-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.52
Rot. Bonds14

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

(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal (PubChem CID 155937156) has the molecular formula C22H46O2SiSn and a molecular weight of 489.41 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal
PubChem CID155937156
Molecular FormulaC22H46O2SiSn
Molecular Weight489.41 g/mol
Exact Mass490.23
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h6,8H,9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyAEUDJNJGLMWDMU-UHFFFAOYSA-N
XLogP7.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal (CID 155937156) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal is CCCC[Sn](CCCC)(CCCC)/C(=C/C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal?
The InChIKey is AEUDJNJGLMWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2Si.3C4H9.Sn/c1-10(2,3)13(4,5)12-9-7-6-8-11;3*1-3-4-2;/h6,8H,9H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal has a molecular weight of 489.41 g/mol, XLogP of 7.52, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal is sourced from PubChem (CID 155937156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).