2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate

C19H41NO8Si — CID 58122243

IUPAC2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
SMILESCCCOCCOCCOCCOC(=O)C(C)CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H41NO8Si/c1-6-9-25-10-11-26-12-13-27-14-15-28-19(21)18(2)17-20-8-7-16-29(22-3,23-4)24-5/h18,20H,6-17H2,1-5H3
InChIKeyBDSKLCWGUBBRPD-UHFFFAOYSA-N
MW439.62 g/mol
LogP1.48
Rot. Bonds21

About 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate

2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate (PubChem CID 58122243) has the molecular formula C19H41NO8Si and a molecular weight of 439.62 g/mol. Its IUPAC name is 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Name2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
PubChem CID58122243
Molecular FormulaC19H41NO8Si
Molecular Weight439.62 g/mol
Exact Mass439.26
IUPAC Name2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
SMILESCCCOCCOCCOCCOC(=O)C(C)CNCCC[Si](OC)(OC)OC
InChIInChI=1S/C19H41NO8Si/c1-6-9-25-10-11-26-12-13-27-14-15-28-19(21)18(2)17-20-8-7-16-29(22-3,23-4)24-5/h18,20H,6-17H2,1-5H3
InChIKeyBDSKLCWGUBBRPD-UHFFFAOYSA-N
XLogP1.48
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.62
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
2-methoxyethyl 3-[3-[dimethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 59782863
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
decyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551178
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
1-N-(3-trimethoxysilylpropyl)butane-1,2,3-triamine
CID 175223273
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
tri(propan-2-yl)silyl 3-[3-[methoxy(dimethyl)silyl]propylamino]-2-methylpropanoate
CID 88852245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate?
The IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate (CID 58122243) is 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate.
What is the SMILES notation for 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate?
The canonical SMILES for 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate is CCCOCCOCCOCCOC(=O)C(C)CNCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate?
The InChIKey is BDSKLCWGUBBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO8Si/c1-6-9-25-10-11-26-12-13-27-14-15-28-19(21)18(2)17-20-8-7-16-29(22-3,23-4)24-5/h18,20H,6-17H2,1-5H3.
What are the key properties of 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate?
2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate has a molecular weight of 439.62 g/mol, XLogP of 1.48, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate is sourced from PubChem (CID 58122243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).