3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane

C24H50O8Si2 — CID 87841309

IUPAC3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.C=CCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si.C11H24O3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h4,6-11H2,1-3,5H3;5H,1,6-11H2,2-4H3
InChIKeyIZYKWOHEXKGUIZ-UHFFFAOYSA-N
MW522.83 g/mol
LogP5.55
Rot. Bonds21

About 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane

3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane (PubChem CID 87841309) has the molecular formula C24H50O8Si2 and a molecular weight of 522.83 g/mol. Its IUPAC name is 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane.

Molecular Properties

Compound Name3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane
PubChem CID87841309
Molecular FormulaC24H50O8Si2
Molecular Weight522.83 g/mol
Exact Mass522.30
IUPAC Name3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.C=CCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si.C11H24O3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h4,6-11H2,1-3,5H3;5H,1,6-11H2,2-4H3
InChIKeyIZYKWOHEXKGUIZ-UHFFFAOYSA-N
XLogP5.55
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.83
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane?
The IUPAC name of 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane (CID 87841309) is 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane.
What is the SMILES notation for 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane?
The canonical SMILES for 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane is C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.C=CCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane?
The InChIKey is IZYKWOHEXKGUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si.C11H24O3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5;1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h4,6-11H2,1-3,5H3;5H,1,6-11H2,2-4H3.
What are the key properties of 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane?
3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane has a molecular weight of 522.83 g/mol, XLogP of 5.55, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane is sourced from PubChem (CID 87841309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).