3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde

C17H24Cl2O2Si — CID 90266303

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(C=O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2O2Si/c1-16(2,3)22(4,5)21-13-9-17(10-13,11-20)12-6-7-14(18)15(19)8-12/h6-8,11,13H,9-10H2,1-5H3
InChIKeyIIAGAUDDHMBDES-UHFFFAOYSA-N
MW359.37 g/mol
LogP5.61
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde (PubChem CID 90266303) has the molecular formula C17H24Cl2O2Si and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde
PubChem CID90266303
Molecular FormulaC17H24Cl2O2Si
Molecular Weight359.37 g/mol
Exact Mass358.09
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(C=O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2O2Si/c1-16(2,3)22(4,5)21-13-9-17(10-13,11-20)12-6-7-14(18)15(19)8-12/h6-8,11,13H,9-10H2,1-5H3
InChIKeyIIAGAUDDHMBDES-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 55.61
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'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde 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 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde (CID 90266303) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CC(C=O)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde?
The InChIKey is IIAGAUDDHMBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O2Si/c1-16(2,3)22(4,5)21-13-9-17(10-13,11-20)12-6-7-14(18)15(19)8-12/h6-8,11,13H,9-10H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde has a molecular weight of 359.37 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 90266303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).