propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde

C21H38O7Si — CID 18939126

IUPACpropan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde
SMILESCC(C)O.CCO[Si](CCCOCCOc1ccc(C=O)cc1)(OCC)OCC
InChIInChI=1S/C18H30O6Si.C3H8O/c1-4-22-25(23-5-2,24-6-3)15-7-12-20-13-14-21-18-10-8-17(16-19)9-11-18;1-3(2)4/h8-11,16H,4-7,12-15H2,1-3H3;3-4H,1-2H3
InChIKeyIUFXIEOOANRVCG-UHFFFAOYSA-N
MW430.61 g/mol
LogP3.72
Rot. Bonds15

About propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde

propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde (PubChem CID 18939126) has the molecular formula C21H38O7Si and a molecular weight of 430.61 g/mol. Its IUPAC name is propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Namepropan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde
PubChem CID18939126
Molecular FormulaC21H38O7Si
Molecular Weight430.61 g/mol
Exact Mass430.24
IUPAC Namepropan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde
SMILESCC(C)O.CCO[Si](CCCOCCOc1ccc(C=O)cc1)(OCC)OCC
InChIInChI=1S/C18H30O6Si.C3H8O/c1-4-22-25(23-5-2,24-6-3)15-7-12-20-13-14-21-18-10-8-17(16-19)9-11-18;1-3(2)4/h8-11,16H,4-7,12-15H2,1-3H3;3-4H,1-2H3
InChIKeyIUFXIEOOANRVCG-UHFFFAOYSA-N
XLogP3.72
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]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 propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde?
The IUPAC name of propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde (CID 18939126) is propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde.
What is the SMILES notation for propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde?
The canonical SMILES for propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde is CC(C)O.CCO[Si](CCCOCCOc1ccc(C=O)cc1)(OCC)OCC.
What is the InChIKey of propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde?
The InChIKey is IUFXIEOOANRVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6Si.C3H8O/c1-4-22-25(23-5-2,24-6-3)15-7-12-20-13-14-21-18-10-8-17(16-19)9-11-18;1-3(2)4/h8-11,16H,4-7,12-15H2,1-3H3;3-4H,1-2H3.
What are the key properties of propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde?
propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde has a molecular weight of 430.61 g/mol, XLogP of 3.72, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 18939126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).