3-trimethoxysilylpropyl N-ethylcarbamate

C9H21NO5Si — CID 141299564

IUPAC3-trimethoxysilylpropyl N-ethylcarbamate
SMILESCCNC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H21NO5Si/c1-5-10-9(11)15-7-6-8-16(12-2,13-3)14-4/h5-8H2,1-4H3,(H,10,11)
InChIKeyYEOKONCNBWNRRE-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.00
Rot. Bonds8

About 3-trimethoxysilylpropyl N-ethylcarbamate

3-trimethoxysilylpropyl N-ethylcarbamate (PubChem CID 141299564) has the molecular formula C9H21NO5Si and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl N-ethylcarbamate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl N-ethylcarbamate
PubChem CID141299564
Molecular FormulaC9H21NO5Si
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-trimethoxysilylpropyl N-ethylcarbamate
SMILESCCNC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H21NO5Si/c1-5-10-9(11)15-7-6-8-16(12-2,13-3)14-4/h5-8H2,1-4H3,(H,10,11)
InChIKeyYEOKONCNBWNRRE-UHFFFAOYSA-N
XLogP1.00
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034551
3-trimethoxysilylpropyl 3-methylpent-2-enoate
CID 141003616
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964264
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
hexyl N-ethylcarbamate;pyridine
CID 137370460
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylcarbamoyloxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl butanoate
CID 157351011
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
azane;ethyl N-ethylcarbamate
CID 88547448

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl N-ethylcarbamate?
The IUPAC name of 3-trimethoxysilylpropyl N-ethylcarbamate (CID 141299564) is 3-trimethoxysilylpropyl N-ethylcarbamate.
What is the SMILES notation for 3-trimethoxysilylpropyl N-ethylcarbamate?
The canonical SMILES for 3-trimethoxysilylpropyl N-ethylcarbamate is CCNC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl N-ethylcarbamate?
The InChIKey is YEOKONCNBWNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO5Si/c1-5-10-9(11)15-7-6-8-16(12-2,13-3)14-4/h5-8H2,1-4H3,(H,10,11).
What are the key properties of 3-trimethoxysilylpropyl N-ethylcarbamate?
3-trimethoxysilylpropyl N-ethylcarbamate has a molecular weight of 251.35 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl N-ethylcarbamate is sourced from PubChem (CID 141299564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).