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

C18H35NO8Si — CID 152545568

IUPAC2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H35NO8Si/c1-6-25-28(26-7-2,27-8-3)15-9-11-24-18(21)19-10-12-22-13-14-23-17(20)16(4)5/h4,6-15H2,1-3,5H3,(H,19,21)
InChIKeyYMKLBFUUDOSYFD-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.29
Rot. Bonds17

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

2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 152545568) has the molecular formula C18H35NO8Si and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID152545568
Molecular FormulaC18H35NO8Si
Molecular Weight421.56 g/mol
Exact Mass421.21
IUPAC Name2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H35NO8Si/c1-6-25-28(26-7-2,27-8-3)15-9-11-24-18(21)19-10-12-22-13-14-23-17(20)16(4)5/h4,6-15H2,1-3,5H3,(H,19,21)
InChIKeyYMKLBFUUDOSYFD-UHFFFAOYSA-N
XLogP2.29
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
2-[2-(4-methylpentoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 166456371
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-[2-[3-[ethyl(dimethyl)-λ4-sulfanyl]propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 155445341
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-methyl-5-[2-(7-triethoxysilylheptoxycarbonylamino)ethoxy]pent-2-enoic acid
CID 175518240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 152545568) is 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCNC(=O)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is YMKLBFUUDOSYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO8Si/c1-6-25-28(26-7-2,27-8-3)15-9-11-24-18(21)19-10-12-22-13-14-23-17(20)16(4)5/h4,6-15H2,1-3,5H3,(H,19,21).
What are the key properties of 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 421.56 g/mol, XLogP of 2.29, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 152545568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).