azepane;triethoxysilane

C12H29NO3Si — CID 173012109

IUPACazepane;triethoxysilane
SMILESC1CCCNCC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H13N.C6H16O3Si/c1-2-4-6-7-5-3-1;1-4-7-10(8-5-2)9-6-3/h7H,1-6H2;10H,4-6H2,1-3H3
InChIKeyOESJIOXQTORHSW-UHFFFAOYSA-N
MW263.45 g/mol
LogP1.96
Rot. Bonds6

About azepane;triethoxysilane

azepane;triethoxysilane (PubChem CID 173012109) has the molecular formula C12H29NO3Si and a molecular weight of 263.45 g/mol. Its IUPAC name is azepane;triethoxysilane.

Molecular Properties

Compound Nameazepane;triethoxysilane
PubChem CID173012109
Molecular FormulaC12H29NO3Si
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Nameazepane;triethoxysilane
SMILESC1CCCNCC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H13N.C6H16O3Si/c1-2-4-6-7-5-3-1;1-4-7-10(8-5-2)9-6-3/h7H,1-6H2;10H,4-6H2,1-3H3
InChIKeyOESJIOXQTORHSW-UHFFFAOYSA-N
XLogP1.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azepane;triethoxysilane 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 azepane;triethoxysilane?
The IUPAC name of azepane;triethoxysilane (CID 173012109) is azepane;triethoxysilane.
What is the SMILES notation for azepane;triethoxysilane?
The canonical SMILES for azepane;triethoxysilane is C1CCCNCC1.CCO[SiH](OCC)OCC.
What is the InChIKey of azepane;triethoxysilane?
The InChIKey is OESJIOXQTORHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H16O3Si/c1-2-4-6-7-5-3-1;1-4-7-10(8-5-2)9-6-3/h7H,1-6H2;10H,4-6H2,1-3H3.
What are the key properties of azepane;triethoxysilane?
azepane;triethoxysilane has a molecular weight of 263.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;triethoxysilane is sourced from PubChem (CID 173012109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).