4-triethoxysilylpentyl 2-methylprop-2-enoate

C15H30O5Si — CID 87402271

IUPAC4-triethoxysilylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O5Si/c1-7-18-21(19-8-2,20-9-3)14(6)11-10-12-17-15(16)13(4)5/h14H,4,7-12H2,1-3,5-6H3
InChIKeyIDXHPIHBFJQXKX-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.32
Rot. Bonds12

About 4-triethoxysilylpentyl 2-methylprop-2-enoate

4-triethoxysilylpentyl 2-methylprop-2-enoate (PubChem CID 87402271) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-triethoxysilylpentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-triethoxysilylpentyl 2-methylprop-2-enoate
PubChem CID87402271
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name4-triethoxysilylpentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H30O5Si/c1-7-18-21(19-8-2,20-9-3)14(6)11-10-12-17-15(16)13(4)5/h14H,4,7-12H2,1-3,5-6H3
InChIKeyIDXHPIHBFJQXKX-UHFFFAOYSA-N
XLogP3.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.32
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-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
(5-hydroxy-4-methylhexyl) 2-methylprop-2-enoate
CID 173435405
4-[1-ethoxyethyl(dimethoxy)silyl]oxybutyl 2-methylprop-2-enoate
CID 174420882
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 140531470
(6-hydroxy-4-methylheptyl) 2-methylprop-2-enoate
CID 175163643
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylpentyl 2-methylprop-2-enoate?
The IUPAC name of 4-triethoxysilylpentyl 2-methylprop-2-enoate (CID 87402271) is 4-triethoxysilylpentyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-triethoxysilylpentyl 2-methylprop-2-enoate?
The canonical SMILES for 4-triethoxysilylpentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylpentyl 2-methylprop-2-enoate?
The InChIKey is IDXHPIHBFJQXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-7-18-21(19-8-2,20-9-3)14(6)11-10-12-17-15(16)13(4)5/h14H,4,7-12H2,1-3,5-6H3.
What are the key properties of 4-triethoxysilylpentyl 2-methylprop-2-enoate?
4-triethoxysilylpentyl 2-methylprop-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 3.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylpentyl 2-methylprop-2-enoate is sourced from PubChem (CID 87402271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).