benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate

C15H27NO5Si — CID 67745923

IUPACbenzene;ethyl N-(3-trimethoxysilylpropyl)carbamate
SMILESCCOC(=O)NCCC[Si](OC)(OC)OC.c1ccccc1
InChIInChI=1S/C9H21NO5Si.C6H6/c1-5-15-9(11)10-7-6-8-16(12-2,13-3)14-4;1-2-4-6-5-3-1/h5-8H2,1-4H3,(H,10,11);1-6H
InChIKeyLYTJFSNSHLHJPD-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.69
Rot. Bonds8

About benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate

benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate (PubChem CID 67745923) has the molecular formula C15H27NO5Si and a molecular weight of 329.47 g/mol. Its IUPAC name is benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate.

Molecular Properties

Compound Namebenzene;ethyl N-(3-trimethoxysilylpropyl)carbamate
PubChem CID67745923
Molecular FormulaC15H27NO5Si
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Namebenzene;ethyl N-(3-trimethoxysilylpropyl)carbamate
SMILESCCOC(=O)NCCC[Si](OC)(OC)OC.c1ccccc1
InChIInChI=1S/C9H21NO5Si.C6H6/c1-5-15-9(11)10-7-6-8-16(12-2,13-3)14-4;1-2-4-6-5-3-1/h5-8H2,1-4H3,(H,10,11);1-6H
InChIKeyLYTJFSNSHLHJPD-UHFFFAOYSA-N
XLogP2.69
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.69
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'}

Analyze benzene;ethyl N-(3-trimethoxysilylpropyl)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 benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate?
The IUPAC name of benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate (CID 67745923) is benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate.
What is the SMILES notation for benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate?
The canonical SMILES for benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate is CCOC(=O)NCCC[Si](OC)(OC)OC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate?
The InChIKey is LYTJFSNSHLHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO5Si.C6H6/c1-5-15-9(11)10-7-6-8-16(12-2,13-3)14-4;1-2-4-6-5-3-1/h5-8H2,1-4H3,(H,10,11);1-6H.
What are the key properties of benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate?
benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate has a molecular weight of 329.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-(3-trimethoxysilylpropyl)carbamate is sourced from PubChem (CID 67745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).