2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid

C19H39NO9Si — CID 150741866

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid
SMILESCCO[Si](CCCN(CCC1(OCCOCCOC)CO1)C(=O)O)(OCC)OCC
InChIInChI=1S/C19H39NO9Si/c1-5-27-30(28-6-2,29-7-3)16-8-10-20(18(21)22)11-9-19(17-26-19)25-15-14-24-13-12-23-4/h5-17H2,1-4H3,(H,21,22)
InChIKeyJUAJERSNCXWNJS-UHFFFAOYSA-N
MW453.61 g/mol
LogP2.20
Rot. Bonds20

About 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid

2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid (PubChem CID 150741866) has the molecular formula C19H39NO9Si and a molecular weight of 453.61 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid
PubChem CID150741866
Molecular FormulaC19H39NO9Si
Molecular Weight453.61 g/mol
Exact Mass453.24
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid
SMILESCCO[Si](CCCN(CCC1(OCCOCCOC)CO1)C(=O)O)(OCC)OCC
InChIInChI=1S/C19H39NO9Si/c1-5-27-30(28-6-2,29-7-3)16-8-10-20(18(21)22)11-9-19(17-26-19)25-15-14-24-13-12-23-4/h5-17H2,1-4H3,(H,21,22)
InChIKeyJUAJERSNCXWNJS-UHFFFAOYSA-N
XLogP2.20
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.20
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
CID 139778420
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
triethoxy(3-methoxypropyl)silane
CID 22712922
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
CID 174147309
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
CID 131883983
CID 131883983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid (CID 150741866) is 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid is CCO[Si](CCCN(CCC1(OCCOCCOC)CO1)C(=O)O)(OCC)OCC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid?
The InChIKey is JUAJERSNCXWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO9Si/c1-5-27-30(28-6-2,29-7-3)16-8-10-20(18(21)22)11-9-19(17-26-19)25-15-14-24-13-12-23-4/h5-17H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid?
2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid has a molecular weight of 453.61 g/mol, XLogP of 2.20, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]oxiran-2-yl]ethyl-(3-triethoxysilylpropyl)carbamic acid is sourced from PubChem (CID 150741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).