triphenylsilyl 4-chlorobutanoate

C22H21ClO2Si — CID 87706253

IUPACtriphenylsilyl 4-chlorobutanoate
SMILESO=C(CCCCl)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClO2Si/c23-18-10-17-22(24)25-26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyICRWCXGYCJPMET-UHFFFAOYSA-N
MW380.95 g/mol
LogP3.22
Rot. Bonds7

About triphenylsilyl 4-chlorobutanoate

triphenylsilyl 4-chlorobutanoate (PubChem CID 87706253) has the molecular formula C22H21ClO2Si and a molecular weight of 380.95 g/mol. Its IUPAC name is triphenylsilyl 4-chlorobutanoate.

Molecular Properties

Compound Nametriphenylsilyl 4-chlorobutanoate
PubChem CID87706253
Molecular FormulaC22H21ClO2Si
Molecular Weight380.95 g/mol
Exact Mass380.10
IUPAC Nametriphenylsilyl 4-chlorobutanoate
SMILESO=C(CCCCl)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClO2Si/c23-18-10-17-22(24)25-26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyICRWCXGYCJPMET-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze triphenylsilyl 4-chlorobutanoate 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

tris(4-methylphenyl)silyl 5-chloropentanoate
CID 87706425
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
trimethylsilyl 4-phenylbutanoate
CID 523833
[3-(4-chlorobutanoyloxy)phenyl] 4-chlorobutanoate
CID 46863601
naphthalen-2-yl 4-chlorobutanoate
CID 532367
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
CID 156904919
ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate
CID 164686274
methyl 11-[chloro(diphenyl)silyl]undecanoate
CID 101109981
trimethylsilyl 4-benzamidobutanoate
CID 10802651
3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane
CID 71387414
1-O-(8-chlorooctyl) 5-O-(3-phenylpropyl) pentanedioate
CID 91710180
[2-(6-bromohexanoyloxy)phenyl] 6-chlorohexanoate
CID 91704543

Frequently Asked Questions

What is the IUPAC name of triphenylsilyl 4-chlorobutanoate?
The IUPAC name of triphenylsilyl 4-chlorobutanoate (CID 87706253) is triphenylsilyl 4-chlorobutanoate.
What is the SMILES notation for triphenylsilyl 4-chlorobutanoate?
The canonical SMILES for triphenylsilyl 4-chlorobutanoate is O=C(CCCCl)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylsilyl 4-chlorobutanoate?
The InChIKey is ICRWCXGYCJPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClO2Si/c23-18-10-17-22(24)25-26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2.
What are the key properties of triphenylsilyl 4-chlorobutanoate?
triphenylsilyl 4-chlorobutanoate has a molecular weight of 380.95 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl 4-chlorobutanoate is sourced from PubChem (CID 87706253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).