methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C23H36O7Si — CID 86762181

IUPACmethyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;1H2,2-3H3
InChIKeyQZLOPPQAJWDQEJ-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.44
Rot. Bonds10

About methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 86762181) has the molecular formula C23H36O7Si and a molecular weight of 452.62 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID86762181
Molecular FormulaC23H36O7Si
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Namemethyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;1H2,2-3H3
InChIKeyQZLOPPQAJWDQEJ-UHFFFAOYSA-N
XLogP4.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 86762181) is methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1.
What is the InChIKey of methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is QZLOPPQAJWDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H8.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 452.62 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 86762181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).