3-benzhydrylsilylpropyl 2-methylprop-2-enoate

C20H24O2Si — CID 152767258

IUPAC3-benzhydrylsilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-16(2)20(21)22-14-9-15-23-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,1,9,14-15,23H2,2H3
InChIKeyKIUCZUZJAYXGOQ-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.87
Rot. Bonds8

About 3-benzhydrylsilylpropyl 2-methylprop-2-enoate

3-benzhydrylsilylpropyl 2-methylprop-2-enoate (PubChem CID 152767258) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 3-benzhydrylsilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-benzhydrylsilylpropyl 2-methylprop-2-enoate
PubChem CID152767258
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name3-benzhydrylsilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-16(2)20(21)22-14-9-15-23-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,1,9,14-15,23H2,2H3
InChIKeyKIUCZUZJAYXGOQ-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-benzhydrylsilylpropyl 2-methylprop-2-enoate 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

3-benzhydryloxysilylpropyl 2-methylprop-2-enoate
CID 154510518
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
3-(2-methylprop-2-enoyloxy)propyl-triphenylphosphanium bromide
CID 175823134
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
1-chloroprop-2-enylbenzene;dodecyl 2-methylprop-2-enoate
CID 166691897
3-[diphenyl(silyloxy)silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 175109238
17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
CID 172739962
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylsilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-benzhydrylsilylpropyl 2-methylprop-2-enoate (CID 152767258) is 3-benzhydrylsilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-benzhydrylsilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-benzhydrylsilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylsilylpropyl 2-methylprop-2-enoate?
The InChIKey is KIUCZUZJAYXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-16(2)20(21)22-14-9-15-23-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,1,9,14-15,23H2,2H3.
What are the key properties of 3-benzhydrylsilylpropyl 2-methylprop-2-enoate?
3-benzhydrylsilylpropyl 2-methylprop-2-enoate has a molecular weight of 324.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylsilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 152767258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).