2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate

C40H85NO11Si3 — CID 18737368

IUPAC2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(O)COCCCCCCC[Si](C)(C)OC(C)(C)C[Si](C)(C)CCCOCC(O)CCCCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C40H85NO11Si3/c1-36(2)39(44)51-28-27-50-34-38(43)33-48-25-18-13-12-14-19-30-54(10,11)52-40(3,4)35-53(8,9)29-21-26-49-32-37(42)22-16-15-17-23-41-24-20-31-55(45-5,46-6)47-7/h37-38,41-43H,1,12-35H2,2-11H3
InChIKeyMFIQGZBPLPHBPN-UHFFFAOYSA-N
MW840.37 g/mol
LogP7.34
Rot. Bonds39

About 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate

2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate (PubChem CID 18737368) has the molecular formula C40H85NO11Si3 and a molecular weight of 840.37 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate
PubChem CID18737368
Molecular FormulaC40H85NO11Si3
Molecular Weight840.37 g/mol
Exact Mass839.54
IUPAC Name2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(O)COCCCCCCC[Si](C)(C)OC(C)(C)C[Si](C)(C)CCCOCC(O)CCCCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C40H85NO11Si3/c1-36(2)39(44)51-28-27-50-34-38(43)33-48-25-18-13-12-14-19-30-54(10,11)52-40(3,4)35-53(8,9)29-21-26-49-32-37(42)22-16-15-17-23-41-24-20-31-55(45-5,46-6)47-7/h37-38,41-43H,1,12-35H2,2-11H3
InChIKeyMFIQGZBPLPHBPN-UHFFFAOYSA-N
XLogP7.34
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.37
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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'}

Analyze 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
2-[4-[[2-[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-2-methylpropyl]-dimethylsilyl]butoxy]ethanol
CID 54147873
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
CID 162511771
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
CID 123927218

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate (CID 18737368) is 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(O)COCCCCCCC[Si](C)(C)OC(C)(C)C[Si](C)(C)CCCOCC(O)CCCCCNCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is MFIQGZBPLPHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H85NO11Si3/c1-36(2)39(44)51-28-27-50-34-38(43)33-48-25-18-13-12-14-19-30-54(10,11)52-40(3,4)35-53(8,9)29-21-26-49-32-37(42)22-16-15-17-23-41-24-20-31-55(45-5,46-6)47-7/h37-38,41-43H,1,12-35H2,2-11H3.
What are the key properties of 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate?
2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 840.37 g/mol, XLogP of 7.34, 39 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[7-[[1-[3-[2-hydroxy-7-(3-trimethoxysilylpropylamino)heptoxy]propyl-dimethylsilyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]heptoxy]propoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18737368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).