2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate

C8H14Cl2O3Si — CID 154135001

IUPAC2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[SiH2]OCC(Cl)Cl
InChIInChI=1S/C8H14Cl2O3Si/c1-6(2)8(11)12-3-4-14-13-5-7(9)10/h7H,1,3-5,14H2,2H3
InChIKeyVLLLWHNTJDAHIE-UHFFFAOYSA-N
MW257.19 g/mol
LogP1.43
Rot. Bonds7

About 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate

2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate (PubChem CID 154135001) has the molecular formula C8H14Cl2O3Si and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
PubChem CID154135001
Molecular FormulaC8H14Cl2O3Si
Molecular Weight257.19 g/mol
Exact Mass256.01
IUPAC Name2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[SiH2]OCC(Cl)Cl
InChIInChI=1S/C8H14Cl2O3Si/c1-6(2)8(11)12-3-4-14-13-5-7(9)10/h7H,1,3-5,14H2,2H3
InChIKeyVLLLWHNTJDAHIE-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2,2-dimethoxyethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154483341
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
CID 143861724
3-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
CID 102275209
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate (CID 154135001) is 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[SiH2]OCC(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate?
The InChIKey is VLLLWHNTJDAHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O3Si/c1-6(2)8(11)12-3-4-14-13-5-7(9)10/h7H,1,3-5,14H2,2H3.
What are the key properties of 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate?
2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate has a molecular weight of 257.19 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 154135001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).