2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane

C13H28O4Si — CID 141187627

IUPAC2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane
SMILESCCOC1CCCCC1CC[Si](OC)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-5-17-13-9-7-6-8-12(13)10-11-18(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3
InChIKeyNVNFGVIORKSEFR-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.85
Rot. Bonds8

About 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane

2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane (PubChem CID 141187627) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane
PubChem CID141187627
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane
SMILESCCOC1CCCCC1CC[Si](OC)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-5-17-13-9-7-6-8-12(13)10-11-18(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3
InChIKeyNVNFGVIORKSEFR-UHFFFAOYSA-N
XLogP2.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane?
The IUPAC name of 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane (CID 141187627) is 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane is CCOC1CCCCC1CC[Si](OC)(OC)OC.
What is the InChIKey of 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane?
The InChIKey is NVNFGVIORKSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-5-17-13-9-7-6-8-12(13)10-11-18(14-2,15-3)16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane?
2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane has a molecular weight of 276.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclohexyl)ethyl-trimethoxysilane is sourced from PubChem (CID 141187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).