3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate

C16H24O5Si — CID 174994672

IUPAC3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccccc1[Si](OC)(OC)OC
InChIInChI=1S/C16H24O5Si/c1-13(2)16(17)21-12-8-10-14-9-6-7-11-15(14)22(18-3,19-4)20-5/h6-7,9,11H,1,8,10,12H2,2-5H3
InChIKeyLJUOMORVIVDOOS-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.82
Rot. Bonds9

About 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate

3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate (PubChem CID 174994672) has the molecular formula C16H24O5Si and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
PubChem CID174994672
Molecular FormulaC16H24O5Si
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccccc1[Si](OC)(OC)OC
InChIInChI=1S/C16H24O5Si/c1-13(2)16(17)21-12-8-10-14-9-6-7-11-15(14)22(18-3,19-4)20-5/h6-7,9,11H,1,8,10,12H2,2-5H3
InChIKeyLJUOMORVIVDOOS-UHFFFAOYSA-N
XLogP1.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.82
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'}

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Related Compounds

3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
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CID 175978198
CID 175978198
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
3-[2-[ethoxy(methyl)silyl]phenyl]propyl 2-methylprop-2-enoate
CID 137327835
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
CID 151563185
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825

Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate (CID 174994672) is 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccccc1[Si](OC)(OC)OC.
What is the InChIKey of 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate?
The InChIKey is LJUOMORVIVDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5Si/c1-13(2)16(17)21-12-8-10-14-9-6-7-11-15(14)22(18-3,19-4)20-5/h6-7,9,11H,1,8,10,12H2,2-5H3.
What are the key properties of 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate?
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate has a molecular weight of 324.45 g/mol, XLogP of 1.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 174994672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).