2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate

C29H58O4Si — CID 123411078

IUPAC2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCC[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C29H58O4Si/c1-6-9-12-15-24-34(25-16-13-10-7-2,26-17-14-11-8-3)27-18-19-31-20-21-32-22-23-33-29(30)28(4)5/h4,6-27H2,1-3,5H3
InChIKeyFZVVXKUNJYULCQ-UHFFFAOYSA-N
MW498.87 g/mol
LogP8.72
Rot. Bonds26

About 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 123411078) has the molecular formula C29H58O4Si and a molecular weight of 498.87 g/mol. Its IUPAC name is 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID123411078
Molecular FormulaC29H58O4Si
Molecular Weight498.87 g/mol
Exact Mass498.41
IUPAC Name2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCC[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C29H58O4Si/c1-6-9-12-15-24-34(25-16-13-10-7-2,26-17-14-11-8-3)27-18-19-31-20-21-32-22-23-33-29(30)28(4)5/h4,6-27H2,1-3,5H3
InChIKeyFZVVXKUNJYULCQ-UHFFFAOYSA-N
XLogP8.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.87
LogP ≤ 58.72
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

2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
CID 139816464
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
2-octadec-9-enoxyethyl 2-methylprop-2-enoate
CID 90778770
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 123411078) is 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCC[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is FZVVXKUNJYULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O4Si/c1-6-9-12-15-24-34(25-16-13-10-7-2,26-17-14-11-8-3)27-18-19-31-20-21-32-22-23-33-29(30)28(4)5/h4,6-27H2,1-3,5H3.
What are the key properties of 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 498.87 g/mol, XLogP of 8.72, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123411078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).