2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal

C26H29ClO2Si — CID 156904158

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
SMILESCC(C)(C)[Si](OCC(C=O)Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29ClO2Si/c1-26(2,3)30(24-10-6-4-7-11-24,25-12-8-5-9-13-25)29-20-22(19-28)18-21-14-16-23(27)17-15-21/h4-17,19,22H,18,20H2,1-3H3
InChIKeyMJKCSUMATGTZFT-UHFFFAOYSA-N
MW437.06 g/mol
LogP5.27
Rot. Bonds8

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal (PubChem CID 156904158) has the molecular formula C26H29ClO2Si and a molecular weight of 437.06 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
PubChem CID156904158
Molecular FormulaC26H29ClO2Si
Molecular Weight437.06 g/mol
Exact Mass436.16
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
SMILESCC(C)(C)[Si](OCC(C=O)Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29ClO2Si/c1-26(2,3)30(24-10-6-4-7-11-24,25-12-8-5-9-13-25)29-20-22(19-28)18-21-14-16-23(27)17-15-21/h4-17,19,22H,18,20H2,1-3H3
InChIKeyMJKCSUMATGTZFT-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.06
LogP ≤ 55.27
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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Related Compounds

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
CID 53492897
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
CID 72711968
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal (CID 156904158) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal is CC(C)(C)[Si](OCC(C=O)Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal?
The InChIKey is MJKCSUMATGTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClO2Si/c1-26(2,3)30(24-10-6-4-7-11-24,25-12-8-5-9-13-25)29-20-22(19-28)18-21-14-16-23(27)17-15-21/h4-17,19,22H,18,20H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal has a molecular weight of 437.06 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal is sourced from PubChem (CID 156904158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).