4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate

C14H28O6Si — CID 174420882

IUPAC4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO[Si](OC)(OC)C(C)OCC
InChIInChI=1S/C14H28O6Si/c1-7-18-13(4)21(16-5,17-6)20-11-9-8-10-19-14(15)12(2)3/h13H,2,7-11H2,1,3-6H3
InChIKeyBNGWFPBUJYMPRP-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.10
Rot. Bonds12

About 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate

4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate (PubChem CID 174420882) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate
PubChem CID174420882
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCO[Si](OC)(OC)C(C)OCC
InChIInChI=1S/C14H28O6Si/c1-7-18-13(4)21(16-5,17-6)20-11-9-8-10-19-14(15)12(2)3/h13H,2,7-11H2,1,3-6H3
InChIKeyBNGWFPBUJYMPRP-UHFFFAOYSA-N
XLogP2.10
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 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

Related Compounds

3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 178065239
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
CID 86065689
(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate?
The IUPAC name of 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate (CID 174420882) is 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCO[Si](OC)(OC)C(C)OCC.
What is the InChIKey of 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate?
The InChIKey is BNGWFPBUJYMPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-7-18-13(4)21(16-5,17-6)20-11-9-8-10-19-14(15)12(2)3/h13H,2,7-11H2,1,3-6H3.
What are the key properties of 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate?
4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate has a molecular weight of 320.46 g/mol, XLogP of 2.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 174420882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).