3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate

C9H15Cl3O2Si — CID 175573579

IUPAC3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]CC(Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl3O2Si/c1-7(2)8(13)14-4-3-5-15-6-9(10,11)12/h1,3-6,15H2,2H3
InChIKeyDOYBLBSJLSSFMW-UHFFFAOYSA-N
MW289.66 g/mol
LogP2.87
Rot. Bonds6

About 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate

3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate (PubChem CID 175573579) has the molecular formula C9H15Cl3O2Si and a molecular weight of 289.66 g/mol. Its IUPAC name is 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate
PubChem CID175573579
Molecular FormulaC9H15Cl3O2Si
Molecular Weight289.66 g/mol
Exact Mass287.99
IUPAC Name3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]CC(Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl3O2Si/c1-7(2)8(13)14-4-3-5-15-6-9(10,11)12/h1,3-6,15H2,2H3
InChIKeyDOYBLBSJLSSFMW-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.87
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
CID 154399955
3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 173117468
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
3-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate (CID 175573579) is 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]CC(Cl)(Cl)Cl.
What is the InChIKey of 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate?
The InChIKey is DOYBLBSJLSSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl3O2Si/c1-7(2)8(13)14-4-3-5-15-6-9(10,11)12/h1,3-6,15H2,2H3.
What are the key properties of 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate?
3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate has a molecular weight of 289.66 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trichloroethylsilyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175573579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).