3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate

C9H17ClO4Si — CID 141320580

IUPAC3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCl)(OC)OC
InChIInChI=1S/C9H17ClO4Si/c1-4-9(11)14-6-5-7-15(8-10,12-2)13-3/h4H,1,5-8H2,2-3H3
InChIKeyJAQYDNREGBCHLK-UHFFFAOYSA-N
MW252.77 g/mol
LogP1.62
Rot. Bonds8

About 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate

3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate (PubChem CID 141320580) has the molecular formula C9H17ClO4Si and a molecular weight of 252.77 g/mol. Its IUPAC name is 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
PubChem CID141320580
Molecular FormulaC9H17ClO4Si
Molecular Weight252.77 g/mol
Exact Mass252.06
IUPAC Name3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCl)(OC)OC
InChIInChI=1S/C9H17ClO4Si/c1-4-9(11)14-6-5-7-15(8-10,12-2)13-3/h4H,1,5-8H2,2-3H3
InChIKeyJAQYDNREGBCHLK-UHFFFAOYSA-N
XLogP1.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
8-[ethyl(dimethoxy)silyl]octyl prop-2-enoate
CID 140662216
13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
CID 150352297
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
3-[dipropoxy(propyl)silyl]propyl prop-2-enoate
CID 21432072
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982

Frequently Asked Questions

What is the IUPAC name of 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate (CID 141320580) is 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CCl)(OC)OC.
What is the InChIKey of 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate?
The InChIKey is JAQYDNREGBCHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO4Si/c1-4-9(11)14-6-5-7-15(8-10,12-2)13-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate?
3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate has a molecular weight of 252.77 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate is sourced from PubChem (CID 141320580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).