ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C14H26O7Si — CID 6453344

IUPACethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=COC(C)=O
InChIInChI=1S/C10H20O5Si.C4H6O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-6-4(2)5/h1,6-8H2,2-5H3;3H,1H2,2H3
InChIKeyRQQYIXNJDNVPIL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.07
Rot. Bonds9

About ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 6453344) has the molecular formula C14H26O7Si and a molecular weight of 334.44 g/mol. Its IUPAC name is ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID6453344
Molecular FormulaC14H26O7Si
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Nameethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=COC(C)=O
InChIInChI=1S/C10H20O5Si.C4H6O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-6-4(2)5/h1,6-8H2,2-5H3;3H,1H2,2H3
InChIKeyRQQYIXNJDNVPIL-UHFFFAOYSA-N
XLogP2.07
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 6453344) is ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is RQQYIXNJDNVPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C4H6O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-6-4(2)5/h1,6-8H2,2-5H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 334.44 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 6453344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).