[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate

C13H27N3O6Si — CID 140661187

IUPAC[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate
SMILESCCO[Si](CCCN(CC)C(=O)N=NOC=O)(OCC)OCC
InChIInChI=1S/C13H27N3O6Si/c1-5-16(13(18)14-15-19-12-17)10-9-11-23(20-6-2,21-7-3)22-8-4/h12H,5-11H2,1-4H3
InChIKeyCDCWQVXPUCPCKH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.41
Rot. Bonds13

About [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate

[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate (PubChem CID 140661187) has the molecular formula C13H27N3O6Si and a molecular weight of 349.46 g/mol. Its IUPAC name is [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate.

Molecular Properties

Compound Name[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate
PubChem CID140661187
Molecular FormulaC13H27N3O6Si
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC Name[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate
SMILESCCO[Si](CCCN(CC)C(=O)N=NOC=O)(OCC)OCC
InChIInChI=1S/C13H27N3O6Si/c1-5-16(13(18)14-15-19-12-17)10-9-11-23(20-6-2,21-7-3)22-8-4/h12H,5-11H2,1-4H3
InChIKeyCDCWQVXPUCPCKH-UHFFFAOYSA-N
XLogP2.41
TPSA99.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
CID 174147309
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
butyl(triethoxy)silane;methanethioic S-acid
CID 175031462
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
CID 11990678
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
8-triethoxysilyloctanethioic S-acid
CID 87672935
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate?
The IUPAC name of [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate (CID 140661187) is [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate.
What is the SMILES notation for [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate?
The canonical SMILES for [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate is CCO[Si](CCCN(CC)C(=O)N=NOC=O)(OCC)OCC.
What is the InChIKey of [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate?
The InChIKey is CDCWQVXPUCPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O6Si/c1-5-16(13(18)14-15-19-12-17)10-9-11-23(20-6-2,21-7-3)22-8-4/h12H,5-11H2,1-4H3.
What are the key properties of [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate?
[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate has a molecular weight of 349.46 g/mol, XLogP of 2.41, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate is sourced from PubChem (CID 140661187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).