4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde

C30H36O3Si — CID 122384656

IUPAC4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde
SMILESCCC(=O)c1c(C=O)cc(C)c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C
InChIInChI=1S/C30H36O3Si/c1-7-28(32)29-23(3)27(22(2)20-24(29)21-31)18-19-33-34(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21H,7,18-19H2,1-6H3
InChIKeyOGVMOTDFTKDBKM-UHFFFAOYSA-N
MW472.70 g/mol
LogP5.83
Rot. Bonds9

About 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde

4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde (PubChem CID 122384656) has the molecular formula C30H36O3Si and a molecular weight of 472.70 g/mol. Its IUPAC name is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde.

Molecular Properties

Compound Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde
PubChem CID122384656
Molecular FormulaC30H36O3Si
Molecular Weight472.70 g/mol
Exact Mass472.24
IUPAC Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde
SMILESCCC(=O)c1c(C=O)cc(C)c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C
InChIInChI=1S/C30H36O3Si/c1-7-28(32)29-23(3)27(22(2)20-24(29)21-31)18-19-33-34(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21H,7,18-19H2,1-6H3
InChIKeyOGVMOTDFTKDBKM-UHFFFAOYSA-N
XLogP5.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.70
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde?
The IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde (CID 122384656) is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde.
What is the SMILES notation for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde?
The canonical SMILES for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde is CCC(=O)c1c(C=O)cc(C)c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C.
What is the InChIKey of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde?
The InChIKey is OGVMOTDFTKDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O3Si/c1-7-28(32)29-23(3)27(22(2)20-24(29)21-31)18-19-33-34(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21H,7,18-19H2,1-6H3.
What are the key properties of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde?
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde has a molecular weight of 472.70 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,5-dimethyl-2-propanoylbenzaldehyde is sourced from PubChem (CID 122384656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).