3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate

C13H26O6Si — CID 178065239

IUPAC3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-7-12(20(15-4,16-5)17-6)18-9-8-10-19-13(14)11(2)3/h12H,2,7-10H2,1,3-6H3
InChIKeyXCMNGXWDLOKVAQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.71
Rot. Bonds11

About 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate

3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate (PubChem CID 178065239) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
PubChem CID178065239
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C13H26O6Si/c1-7-12(20(15-4,16-5)17-6)18-9-8-10-19-13(14)11(2)3/h12H,2,7-10H2,1,3-6H3
InChIKeyXCMNGXWDLOKVAQ-UHFFFAOYSA-N
XLogP1.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.71
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'}

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Related Compounds

3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate
CID 174420882
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
CID 137078433
CID 137078433
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(1-silyloxyethoxy)propyl 2-methylprop-2-enoate
CID 173268591
3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
CID 174805251
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056

Frequently Asked Questions

What is the IUPAC name of 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate (CID 178065239) is 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
The InChIKey is XCMNGXWDLOKVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-7-12(20(15-4,16-5)17-6)18-9-8-10-19-13(14)11(2)3/h12H,2,7-10H2,1,3-6H3.
What are the key properties of 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate?
3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate has a molecular weight of 306.43 g/mol, XLogP of 1.71, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 178065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).