propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C19H38O7Si — CID 174676531

IUPACpropyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC=C(C)C(=O)OCCC.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C7H12O2/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-4-5-9-7(8)6(2)3/h12H,4-11H2,1-3H3;2,4-5H2,1,3H3
InChIKeyPILODBCPFAMEPL-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.36
Rot. Bonds15

About propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 174676531) has the molecular formula C19H38O7Si and a molecular weight of 406.59 g/mol. Its IUPAC name is propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namepropyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID174676531
Molecular FormulaC19H38O7Si
Molecular Weight406.59 g/mol
Exact Mass406.24
IUPAC Namepropyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC=C(C)C(=O)OCCC.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C7H12O2/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-4-5-9-7(8)6(2)3/h12H,4-11H2,1-3H3;2,4-5H2,1,3H3
InChIKeyPILODBCPFAMEPL-UHFFFAOYSA-N
XLogP3.36
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.36
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
CID 175369896
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173321049
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049

Frequently Asked Questions

What is the IUPAC name of propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 174676531) is propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is C=C(C)C(=O)OCCC.CCO[Si](CCCOCC1CO1)(OCC)OCC.
What is the InChIKey of propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is PILODBCPFAMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si.C7H12O2/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-4-5-9-7(8)6(2)3/h12H,4-11H2,1-3H3;2,4-5H2,1,3H3.
What are the key properties of propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 406.59 g/mol, XLogP of 3.36, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 174676531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).