2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate

C18H39NO9Si — CID 102138334

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCOCCOCCOCCO)(OCC)OCC
InChIInChI=1S/C18H39NO9Si/c1-4-26-29(27-5-2,28-6-3)17-7-8-19-18(21)25-16-15-24-14-13-23-12-11-22-10-9-20/h20H,4-17H2,1-3H3,(H,19,21)
InChIKeyMTZTYGXIBREGSH-UHFFFAOYSA-N
MW441.59 g/mol
LogP1.19
Rot. Bonds21

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 102138334) has the molecular formula C18H39NO9Si and a molecular weight of 441.59 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID102138334
Molecular FormulaC18H39NO9Si
Molecular Weight441.59 g/mol
Exact Mass441.24
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCOCCOCCOCCO)(OCC)OCC
InChIInChI=1S/C18H39NO9Si/c1-4-26-29(27-5-2,28-6-3)17-7-8-19-18(21)25-16-15-24-14-13-23-12-11-22-10-9-20/h20H,4-17H2,1-3H3,(H,19,21)
InChIKeyMTZTYGXIBREGSH-UHFFFAOYSA-N
XLogP1.19
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

CID 166047507
CID 166047507
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate (CID 102138334) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCCOCCOCCOCCO)(OCC)OCC.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is MTZTYGXIBREGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO9Si/c1-4-26-29(27-5-2,28-6-3)17-7-8-19-18(21)25-16-15-24-14-13-23-12-11-22-10-9-20/h20H,4-17H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 441.59 g/mol, XLogP of 1.19, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 102138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).