3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate

C15H27Cl3O6Si2 — CID 87857692

IUPAC3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H18O4Si.C6H9Cl3O2Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3;1-2-6(10)11-4-3-5-12(7,8)9/h5H,1,6-8H2,2-4H3;2H,1,3-5H2
InChIKeyWDJJMGJZFDCHAM-UHFFFAOYSA-N
MW465.91 g/mol
LogP4.23
Rot. Bonds12

About 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate

3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate (PubChem CID 87857692) has the molecular formula C15H27Cl3O6Si2 and a molecular weight of 465.91 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
PubChem CID87857692
Molecular FormulaC15H27Cl3O6Si2
Molecular Weight465.91 g/mol
Exact Mass464.04
IUPAC Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H18O4Si.C6H9Cl3O2Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3;1-2-6(10)11-4-3-5-12(7,8)9/h5H,1,6-8H2,2-4H3;2H,1,3-5H2
InChIKeyWDJJMGJZFDCHAM-UHFFFAOYSA-N
XLogP4.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.91
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-trichlorosilylbutyl prop-2-enoate
CID 54422038
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
2-[2-[2-[dimethoxy(methyl)silyl]ethoxy]ethoxy]ethyl prop-2-enoate
CID 171586984
3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
CID 141320580
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
CID 88604956
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate (CID 87857692) is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate?
The InChIKey is WDJJMGJZFDCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si.C6H9Cl3O2Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3;1-2-6(10)11-4-3-5-12(7,8)9/h5H,1,6-8H2,2-4H3;2H,1,3-5H2.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate?
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate has a molecular weight of 465.91 g/mol, XLogP of 4.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate is sourced from PubChem (CID 87857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).