(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal

C21H26O2Si — CID 11782738

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
SMILESC/C(C=O)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17H,16H2,1-4H3/b18-15+
InChIKeyOIQIWCKKGXWYIW-OBGWFSINSA-N
MW338.52 g/mol
LogP3.71
Rot. Bonds6

About (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal

(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal (PubChem CID 11782738) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
PubChem CID11782738
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
SMILESC/C(C=O)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17H,16H2,1-4H3/b18-15+
InChIKeyOIQIWCKKGXWYIW-OBGWFSINSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.71
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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Related Compounds

2-((Tert-butyldiphenylsilyl)oxy)acetaldehyde
CID 10040359
4-[Tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal
CID 11046453
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanal
CID 11088707
5-[Tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
CID 11724726
4-[Tert-butyl(diphenyl)silyl]oxycyclohex-2-en-1-one
CID 25258073
(R,E)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11531103
(R,Z)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11639588
4-[Tert-butyl(diphenyl)silyl]oxybut-2-ynal
CID 10925331
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
CID 11013256
(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal
CID 11132305
2-[[Tert-butyl(diphenyl)silyl]methyl]-3-trimethylsilyloxypropanal
CID 14227111
(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal
CID 24873775

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal (CID 11782738) is (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal is C/C(C=O)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal?
The InChIKey is OIQIWCKKGXWYIW-OBGWFSINSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-18(17-22)15-16-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17H,16H2,1-4H3/b18-15+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal?
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal has a molecular weight of 338.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal is sourced from PubChem (CID 11782738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).