oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate

C11H23NO6Si — CID 162452434

IUPACoxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate
SMILESCCO[Si](CNC(=O)OCC1CO1)(OCC)OCC
InChIInChI=1S/C11H23NO6Si/c1-4-16-19(17-5-2,18-6-3)9-12-11(13)15-8-10-7-14-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyLLRZBCLMNALPHD-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.70
Rot. Bonds10

About oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate

oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate (PubChem CID 162452434) has the molecular formula C11H23NO6Si and a molecular weight of 293.39 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate
PubChem CID162452434
Molecular FormulaC11H23NO6Si
Molecular Weight293.39 g/mol
Exact Mass293.13
IUPAC Nameoxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate
SMILESCCO[Si](CNC(=O)OCC1CO1)(OCC)OCC
InChIInChI=1S/C11H23NO6Si/c1-4-16-19(17-5-2,18-6-3)9-12-11(13)15-8-10-7-14-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyLLRZBCLMNALPHD-UHFFFAOYSA-N
XLogP0.70
TPSA78.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate?
The IUPAC name of oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate (CID 162452434) is oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate?
The canonical SMILES for oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate is CCO[Si](CNC(=O)OCC1CO1)(OCC)OCC.
What is the InChIKey of oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate?
The InChIKey is LLRZBCLMNALPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6Si/c1-4-16-19(17-5-2,18-6-3)9-12-11(13)15-8-10-7-14-10/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate?
oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate has a molecular weight of 293.39 g/mol, XLogP of 0.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate is sourced from PubChem (CID 162452434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).