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

C20H24O2Si — CID 10860332

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
SMILESCC(C)(C)[Si](OC/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3/b11-10+
InChIKeyMGGIIAUQPJPLFZ-ZHACJKMWSA-N
MW324.50 g/mol
LogP3.32
Rot. Bonds6

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

(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal (PubChem CID 10860332) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
PubChem CID10860332
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
SMILESCC(C)(C)[Si](OC/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3/b11-10+
InChIKeyMGGIIAUQPJPLFZ-ZHACJKMWSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.32
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

(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
CID 53492897
(Z)-4-[(4S,5S)-5-[(Z)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 122386118
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
(5E)-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
CID 23243573
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal (CID 10860332) is (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal is CC(C)(C)[Si](OC/C=C/C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal?
The InChIKey is MGGIIAUQPJPLFZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3/b11-10+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal?
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal has a molecular weight of 324.50 g/mol, XLogP of 3.32, 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]oxybut-2-enal is sourced from PubChem (CID 10860332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).