2-(cyclohexen-1-yl)ethyl-triethoxysilane

C14H28O3Si — CID 4571763

IUPAC2-(cyclohexen-1-yl)ethyl-triethoxysilane
SMILESCCO[Si](CCC1=CCCCC1)(OCC)OCC
InChIInChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)13-12-14-10-8-7-9-11-14/h10H,4-9,11-13H2,1-3H3
InChIKeyMLXMQBGBMIFRSY-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.93
Rot. Bonds9

About 2-(cyclohexen-1-yl)ethyl-triethoxysilane

2-(cyclohexen-1-yl)ethyl-triethoxysilane (PubChem CID 4571763) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethyl-triethoxysilane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethyl-triethoxysilane
PubChem CID4571763
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name2-(cyclohexen-1-yl)ethyl-triethoxysilane
SMILESCCO[Si](CCC1=CCCCC1)(OCC)OCC
InChIInChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)13-12-14-10-8-7-9-11-14/h10H,4-9,11-13H2,1-3H3
InChIKeyMLXMQBGBMIFRSY-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)ethyl-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 2-(cyclohexen-1-yl)ethyl-triethoxysilane?
The IUPAC name of 2-(cyclohexen-1-yl)ethyl-triethoxysilane (CID 4571763) is 2-(cyclohexen-1-yl)ethyl-triethoxysilane.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethyl-triethoxysilane?
The canonical SMILES for 2-(cyclohexen-1-yl)ethyl-triethoxysilane is CCO[Si](CCC1=CCCCC1)(OCC)OCC.
What is the InChIKey of 2-(cyclohexen-1-yl)ethyl-triethoxysilane?
The InChIKey is MLXMQBGBMIFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)13-12-14-10-8-7-9-11-14/h10H,4-9,11-13H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)ethyl-triethoxysilane?
2-(cyclohexen-1-yl)ethyl-triethoxysilane has a molecular weight of 272.46 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethyl-triethoxysilane is sourced from PubChem (CID 4571763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).