tris(4-methylphenyl)silyl 5-chloropentanoate

C26H29ClO2Si — CID 87706425

IUPACtris(4-methylphenyl)silyl 5-chloropentanoate
SMILESCc1ccc([Si](OC(=O)CCCCCl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29ClO2Si/c1-20-7-13-23(14-8-20)30(24-15-9-21(2)10-16-24,25-17-11-22(3)12-18-25)29-26(28)6-4-5-19-27/h7-18H,4-6,19H2,1-3H3
InChIKeyDOLPOAWYHJQSNX-UHFFFAOYSA-N
MW437.06 g/mol
LogP4.53
Rot. Bonds8

About tris(4-methylphenyl)silyl 5-chloropentanoate

tris(4-methylphenyl)silyl 5-chloropentanoate (PubChem CID 87706425) has the molecular formula C26H29ClO2Si and a molecular weight of 437.06 g/mol. Its IUPAC name is tris(4-methylphenyl)silyl 5-chloropentanoate.

Molecular Properties

Compound Nametris(4-methylphenyl)silyl 5-chloropentanoate
PubChem CID87706425
Molecular FormulaC26H29ClO2Si
Molecular Weight437.06 g/mol
Exact Mass436.16
IUPAC Nametris(4-methylphenyl)silyl 5-chloropentanoate
SMILESCc1ccc([Si](OC(=O)CCCCCl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29ClO2Si/c1-20-7-13-23(14-8-20)30(24-15-9-21(2)10-16-24,25-17-11-22(3)12-18-25)29-26(28)6-4-5-19-27/h7-18H,4-6,19H2,1-3H3
InChIKeyDOLPOAWYHJQSNX-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.06
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tris(4-methylphenyl)silyl 5-chloropentanoate 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

triphenylsilyl 4-chlorobutanoate
CID 87706253
(3,5-dimethylphenyl) 5-chloropentanoate
CID 532701
bis(4-methylphenyl) hexanedioate
CID 521615
tris(4-methylphenyl)-tris(4-methylphenyl)silyloxysilane
CID 87172931
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
methyl 7-chloroheptanoate
CID 529989
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
dodecanedioic acid;1,4-xylene
CID 66586315
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)silyl 5-chloropentanoate?
The IUPAC name of tris(4-methylphenyl)silyl 5-chloropentanoate (CID 87706425) is tris(4-methylphenyl)silyl 5-chloropentanoate.
What is the SMILES notation for tris(4-methylphenyl)silyl 5-chloropentanoate?
The canonical SMILES for tris(4-methylphenyl)silyl 5-chloropentanoate is Cc1ccc([Si](OC(=O)CCCCCl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)silyl 5-chloropentanoate?
The InChIKey is DOLPOAWYHJQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClO2Si/c1-20-7-13-23(14-8-20)30(24-15-9-21(2)10-16-24,25-17-11-22(3)12-18-25)29-26(28)6-4-5-19-27/h7-18H,4-6,19H2,1-3H3.
What are the key properties of tris(4-methylphenyl)silyl 5-chloropentanoate?
tris(4-methylphenyl)silyl 5-chloropentanoate has a molecular weight of 437.06 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)silyl 5-chloropentanoate is sourced from PubChem (CID 87706425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).