4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one

C25H54O7Si2 — CID 87593230

IUPAC4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCC(CC)C(=O)C(CC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C25H54O7Si2/c1-9-23(19-17-21-33(27-11-3,28-12-4)29-13-5)25(26)24(10-2)20-18-22-34(30-14-6,31-15-7)32-16-8/h23-24H,9-22H2,1-8H3
InChIKeyAQKWIIKUPQFHRH-UHFFFAOYSA-N
MW522.87 g/mol
LogP6.27
Rot. Bonds24

About 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one

4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one (PubChem CID 87593230) has the molecular formula C25H54O7Si2 and a molecular weight of 522.87 g/mol. Its IUPAC name is 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one.

Molecular Properties

Compound Name4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one
PubChem CID87593230
Molecular FormulaC25H54O7Si2
Molecular Weight522.87 g/mol
Exact Mass522.34
IUPAC Name4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCC(CC)C(=O)C(CC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C25H54O7Si2/c1-9-23(19-17-21-33(27-11-3,28-12-4)29-13-5)25(26)24(10-2)20-18-22-34(30-14-6,31-15-7)32-16-8/h23-24H,9-22H2,1-8H3
InChIKeyAQKWIIKUPQFHRH-UHFFFAOYSA-N
XLogP6.27
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.87
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one 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 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The IUPAC name of 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one (CID 87593230) is 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one.
What is the SMILES notation for 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The canonical SMILES for 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one is CCO[Si](CCCC(CC)C(=O)C(CC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The InChIKey is AQKWIIKUPQFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O7Si2/c1-9-23(19-17-21-33(27-11-3,28-12-4)29-13-5)25(26)24(10-2)20-18-22-34(30-14-6,31-15-7)32-16-8/h23-24H,9-22H2,1-8H3.
What are the key properties of 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one?
4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one has a molecular weight of 522.87 g/mol, XLogP of 6.27, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1,9-bis(triethoxysilyl)nonan-5-one is sourced from PubChem (CID 87593230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).