3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate

C17H26O4Si — CID 19012650

IUPAC3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C17H26O4Si/c1-5-20-22(21-6-2,16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3
InChIKeyFAOIOVKFSPHXEC-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.92
Rot. Bonds10

About 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate

3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 19012650) has the molecular formula C17H26O4Si and a molecular weight of 322.48 g/mol. Its IUPAC name is 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID19012650
Molecular FormulaC17H26O4Si
Molecular Weight322.48 g/mol
Exact Mass322.16
IUPAC Name3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C17H26O4Si/c1-5-20-22(21-6-2,16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3
InChIKeyFAOIOVKFSPHXEC-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
diethoxy-phenyl-(3-propoxypropyl)silane
CID 141085456
N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide
CID 139728485
2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
CID 102034522

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate (CID 19012650) is 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OCC)(OCC)c1ccccc1.
What is the InChIKey of 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is FAOIOVKFSPHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4Si/c1-5-20-22(21-6-2,16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3.
What are the key properties of 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate?
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 322.48 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 19012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).