2,2,2-triethoxyethylcyclohexane

C14H28O3 — CID 21433417

IUPAC2,2,2-triethoxyethylcyclohexane
SMILESCCOC(CC1CCCCC1)(OCC)OCC
InChIInChI=1S/C14H28O3/c1-4-15-14(16-5-2,17-6-3)12-13-10-8-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyMMCOXCUQVCURRF-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.72
Rot. Bonds8

About 2,2,2-triethoxyethylcyclohexane

2,2,2-triethoxyethylcyclohexane (PubChem CID 21433417) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2,2,2-triethoxyethylcyclohexane.

Molecular Properties

Compound Name2,2,2-triethoxyethylcyclohexane
PubChem CID21433417
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2,2,2-triethoxyethylcyclohexane
SMILESCCOC(CC1CCCCC1)(OCC)OCC
InChIInChI=1S/C14H28O3/c1-4-15-14(16-5-2,17-6-3)12-13-10-8-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyMMCOXCUQVCURRF-UHFFFAOYSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2,2-triethoxyethylcyclohexane 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

2,2,2-triethoxyethoxycyclobutane
CID 159766824
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
CID 116747218
propylcyclotetradecane
CID 90991550
ethoxymethylcyclooctane
CID 70370569
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
dimethoxymethane;ethylcyclohexane
CID 159138844
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798
[1,1-diethoxyethyl(ethoxy)phosphoryl]methylcyclohexane
CID 129364277
N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-triethoxyethylcyclohexane?
The IUPAC name of 2,2,2-triethoxyethylcyclohexane (CID 21433417) is 2,2,2-triethoxyethylcyclohexane.
What is the SMILES notation for 2,2,2-triethoxyethylcyclohexane?
The canonical SMILES for 2,2,2-triethoxyethylcyclohexane is CCOC(CC1CCCCC1)(OCC)OCC.
What is the InChIKey of 2,2,2-triethoxyethylcyclohexane?
The InChIKey is MMCOXCUQVCURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-15-14(16-5-2,17-6-3)12-13-10-8-7-9-11-13/h13H,4-12H2,1-3H3.
What are the key properties of 2,2,2-triethoxyethylcyclohexane?
2,2,2-triethoxyethylcyclohexane has a molecular weight of 244.37 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triethoxyethylcyclohexane is sourced from PubChem (CID 21433417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).