4-[2-tri(propan-2-yl)silylethyl]benzaldehyde

C18H30OSi — CID 175864794

IUPAC4-[2-tri(propan-2-yl)silylethyl]benzaldehyde
SMILESCC(C)[Si](CCc1ccc(C=O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,11-12H2,1-6H3
InChIKeyIUEWLXYTHXBTKL-UHFFFAOYSA-N
MW290.52 g/mol
LogP5.72
Rot. Bonds7

About 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde

4-[2-tri(propan-2-yl)silylethyl]benzaldehyde (PubChem CID 175864794) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-tri(propan-2-yl)silylethyl]benzaldehyde
PubChem CID175864794
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name4-[2-tri(propan-2-yl)silylethyl]benzaldehyde
SMILESCC(C)[Si](CCc1ccc(C=O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,11-12H2,1-6H3
InChIKeyIUEWLXYTHXBTKL-UHFFFAOYSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde?
The IUPAC name of 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde (CID 175864794) is 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde.
What is the SMILES notation for 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde?
The canonical SMILES for 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde is CC(C)[Si](CCc1ccc(C=O)cc1)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde?
The InChIKey is IUEWLXYTHXBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-14(2)20(15(3)4,16(5)6)12-11-17-7-9-18(13-19)10-8-17/h7-10,13-16H,11-12H2,1-6H3.
What are the key properties of 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde?
4-[2-tri(propan-2-yl)silylethyl]benzaldehyde has a molecular weight of 290.52 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tri(propan-2-yl)silylethyl]benzaldehyde is sourced from PubChem (CID 175864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).