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

C16H32O5Si — CID 141157653

IUPAC3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OC(C)CCC
InChIInChI=1S/C16H32O5Si/c1-7-11-15(6)21-22(19-8-2,20-9-3)13-10-12-18-16(17)14(4)5/h15H,4,7-13H2,1-3,5-6H3
InChIKeyAQUNRQALMNMXBD-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds13

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

3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate (PubChem CID 141157653) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
PubChem CID141157653
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)OC(C)CCC
InChIInChI=1S/C16H32O5Si/c1-7-11-15(6)21-22(19-8-2,20-9-3)13-10-12-18-16(17)14(4)5/h15H,4,7-13H2,1-3,5-6H3
InChIKeyAQUNRQALMNMXBD-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.71
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

4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate (CID 141157653) is 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OCC)(OCC)OC(C)CCC.
What is the InChIKey of 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is AQUNRQALMNMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-7-11-15(6)21-22(19-8-2,20-9-3)13-10-12-18-16(17)14(4)5/h15H,4,7-13H2,1-3,5-6H3.
What are the key properties of 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate?
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 332.51 g/mol, XLogP of 3.71, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 141157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).