2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate

C21H42O6Si — CID 139816449

IUPAC2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C21H42O6Si/c1-6-9-14-25-28(26-15-10-7-2,27-16-11-8-3)19-12-13-23-17-18-24-21(22)20(4)5/h4,6-19H2,1-3,5H3
InChIKeyDDSZEPXADURSHS-UHFFFAOYSA-N
MW418.65 g/mol
LogP4.90
Rot. Bonds20

About 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate

2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate (PubChem CID 139816449) has the molecular formula C21H42O6Si and a molecular weight of 418.65 g/mol. Its IUPAC name is 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
PubChem CID139816449
Molecular FormulaC21H42O6Si
Molecular Weight418.65 g/mol
Exact Mass418.28
IUPAC Name2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C21H42O6Si/c1-6-9-14-25-28(26-15-10-7-2,27-16-11-8-3)19-12-13-23-17-18-24-21(22)20(4)5/h4,6-19H2,1-3,5H3
InChIKeyDDSZEPXADURSHS-UHFFFAOYSA-N
XLogP4.90
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.90
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'}

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Related Compounds

2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
CID 139816464
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 123411078
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
bis(2-butoxyethyl) 2-methylidenepropanedioate
CID 156690471
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568

Frequently Asked Questions

What is the IUPAC name of 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate (CID 139816449) is 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is DDSZEPXADURSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O6Si/c1-6-9-14-25-28(26-15-10-7-2,27-16-11-8-3)19-12-13-23-17-18-24-21(22)20(4)5/h4,6-19H2,1-3,5H3.
What are the key properties of 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate?
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 418.65 g/mol, XLogP of 4.90, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139816449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).