4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride

C18H18Cl2O2Si — CID 101491677

IUPAC4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
SMILESCC[Si](CC)(c1ccc(C(=O)Cl)cc1)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C18H18Cl2O2Si/c1-3-23(4-2,15-9-5-13(6-10-15)17(19)21)16-11-7-14(8-12-16)18(20)22/h5-12H,3-4H2,1-2H3
InChIKeyKBHOKKHAUDTBTA-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.05
Rot. Bonds6

About 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride

4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride (PubChem CID 101491677) has the molecular formula C18H18Cl2O2Si and a molecular weight of 365.33 g/mol. Its IUPAC name is 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride.

Molecular Properties

Compound Name4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
PubChem CID101491677
Molecular FormulaC18H18Cl2O2Si
Molecular Weight365.33 g/mol
Exact Mass364.05
IUPAC Name4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
SMILESCC[Si](CC)(c1ccc(C(=O)Cl)cc1)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C18H18Cl2O2Si/c1-3-23(4-2,15-9-5-13(6-10-15)17(19)21)16-11-7-14(8-12-16)18(20)22/h5-12H,3-4H2,1-2H3
InChIKeyKBHOKKHAUDTBTA-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
CID 102443939
4-methylbenzoyl chloride
CID 13405
bis(4-dimethylsilylphenyl)-diethylsilane
CID 157068127
4-methylbenzoyl chloride;pyridine
CID 131721472
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
4-(5-methylthiophen-2-yl)benzoyl chloride
CID 87404032
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
CID 11070855
CID 11070855
(4-carbonochloridoylphenyl)methyl-trimethylazanium
CID 59290041
4-(2-bromoacetyl)benzoyl chloride
CID 57372356
4-dimethylarsanylbenzoyl chloride
CID 87760478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride?
The IUPAC name of 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride (CID 101491677) is 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride.
What is the SMILES notation for 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride?
The canonical SMILES for 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride is CC[Si](CC)(c1ccc(C(=O)Cl)cc1)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride?
The InChIKey is KBHOKKHAUDTBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O2Si/c1-3-23(4-2,15-9-5-13(6-10-15)17(19)21)16-11-7-14(8-12-16)18(20)22/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride?
4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride has a molecular weight of 365.33 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride is sourced from PubChem (CID 101491677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).