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

C18H28O5Si — CID 70407419

IUPACstyrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8/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/h1,6-8H2,2-5H3;2-7H,1H2
InChIKeyIDBIPGYWKAWHGK-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.70
Rot. Bonds9

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

styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 70407419) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namestyrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID70407419
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Namestyrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8/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/h1,6-8H2,2-5H3;2-7H,1H2
InChIKeyIDBIPGYWKAWHGK-UHFFFAOYSA-N
XLogP3.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 70407419) is styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=Cc1ccccc1.
What is the InChIKey of styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is IDBIPGYWKAWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H8/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/h1,6-8H2,2-5H3;2-7H,1H2.
What are the key properties of styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 352.50 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 70407419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).