(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal

C24H50O2SiSn — CID 155934417

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4;3*1-3-4-2;/h8,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyXUQANSLYBSLKHH-HZAYLZKLSA-N
MW517.46 g/mol
LogP8.30
Rot. Bonds15

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal (PubChem CID 155934417) has the molecular formula C24H50O2SiSn and a molecular weight of 517.46 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal
PubChem CID155934417
Molecular FormulaC24H50O2SiSn
Molecular Weight517.46 g/mol
Exact Mass518.26
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal
SMILESCCCC[Sn](CCCC)(CCCC)/C(C)=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4;3*1-3-4-2;/h8,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyXUQANSLYBSLKHH-HZAYLZKLSA-N
XLogP8.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 58.30
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal (CID 155934417) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal is CCCC[Sn](CCCC)(CCCC)/C(C)=C/C[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal?
The InChIKey is XUQANSLYBSLKHH-HZAYLZKLSA-N. The full InChI is InChI=1S/C12H23O2Si.3C4H9.Sn/c1-7-8-9-11(10-13)14-15(5,6)12(2,3)4;3*1-3-4-2;/h8,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal has a molecular weight of 517.46 g/mol, XLogP of 8.30, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-enal is sourced from PubChem (CID 155934417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).