6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate

C17H33NO7Si — CID 171791213

IUPAC6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C17H33NO7Si/c1-15(2)16(19)24-12-8-6-7-9-13-25-17(20)18-11-10-14-26(21-3,22-4)23-5/h1,6-14H2,2-5H3,(H,18,20)
InChIKeyGZLJRGBUHZADJZ-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.66
Rot. Bonds15

About 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate

6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate (PubChem CID 171791213) has the molecular formula C17H33NO7Si and a molecular weight of 391.54 g/mol. Its IUPAC name is 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
PubChem CID171791213
Molecular FormulaC17H33NO7Si
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C17H33NO7Si/c1-15(2)16(19)24-12-8-6-7-9-13-25-17(20)18-11-10-14-26(21-3,22-4)23-5/h1,6-14H2,2-5H3,(H,18,20)
InChIKeyGZLJRGBUHZADJZ-UHFFFAOYSA-N
XLogP2.66
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxycarbonylamino]propyl] 2-methylprop-2-enoate
CID 162511771
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664

Frequently Asked Questions

What is the IUPAC name of 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate (CID 171791213) is 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate?
The InChIKey is GZLJRGBUHZADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO7Si/c1-15(2)16(19)24-12-8-6-7-9-13-25-17(20)18-11-10-14-26(21-3,22-4)23-5/h1,6-14H2,2-5H3,(H,18,20).
What are the key properties of 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate?
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate has a molecular weight of 391.54 g/mol, XLogP of 2.66, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 171791213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).