4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane

C23H25ClSi — CID 134958717

IUPAC4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane
SMILESCC(CCc1ccc(Cl)cc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25ClSi/c1-19(13-14-20-15-17-21(24)18-16-20)25(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-19H,13-14H2,1-2H3
InChIKeyAVGCRZIYQZUZHI-UHFFFAOYSA-N
MW364.99 g/mol
LogP5.56
Rot. Bonds6

About 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane

4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane (PubChem CID 134958717) has the molecular formula C23H25ClSi and a molecular weight of 364.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane.

Molecular Properties

Compound Name4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane
PubChem CID134958717
Molecular FormulaC23H25ClSi
Molecular Weight364.99 g/mol
Exact Mass364.14
IUPAC Name4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane
SMILESCC(CCc1ccc(Cl)cc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25ClSi/c1-19(13-14-20-15-17-21(24)18-16-20)25(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-19H,13-14H2,1-2H3
InChIKeyAVGCRZIYQZUZHI-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.99
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tris(4-chlorophenyl)methane
CID 92256
1-Chloro-4-[1,2,2-tris(4-chlorophenyl)ethenyl]benzene
CID 345848
4-Chloro-4''-methyl-1,1':4',1''-terphenyl
CID 23391118
1,1'-(2-Methylpropane-1,1-diyl)bis(4-chlorobenzene)
CID 173881
4-Chloro-4''-ethyl-1,1':4',1''-terphenyl
CID 23391117
4-Chloro-4''-pentyl-1,1':4',1''-terphenyl
CID 23391119
4-Chloro-4''-propyl-1,1':4',1''-terphenyl
CID 23391120
4-Butyl-4''-chloro-1,1':4',1''-terphenyl
CID 23391145
4''-Chloro-2'-fluoro-4-hexyl-1,1':4',1''-terphenyl
CID 23391197
4-Chloro-2-fluoro-4''-propyl-1,1':4',1''-terphenyl
CID 23391200
ETHYLENE, 1-(p-CHLOROPHENYL)-2,2-DIPHENYL-
CID 14681
(4-Chlorophenylethynyl)trimethylsilane
CID 3337298

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane?
The IUPAC name of 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane (CID 134958717) is 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane.
What is the SMILES notation for 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane?
The canonical SMILES for 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane is CC(CCc1ccc(Cl)cc1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane?
The InChIKey is AVGCRZIYQZUZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClSi/c1-19(13-14-20-15-17-21(24)18-16-20)25(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-19H,13-14H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane?
4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane has a molecular weight of 364.99 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)butan-2-yl-methyl-diphenylsilane is sourced from PubChem (CID 134958717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).