2,4,6-tricyclohexyl-1,3,5-trioxane

C21H36O3 — CID 11371116

IUPAC2,4,6-tricyclohexyl-1,3,5-trioxane
SMILESC1CCC(C2OC(C3CCCCC3)OC(C3CCCCC3)O2)CC1
InChIInChI=1S/C21H36O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h16-21H,1-15H2
InChIKeyMVDCFRCBNYLINX-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.77
Rot. Bonds3

About 2,4,6-tricyclohexyl-1,3,5-trioxane

2,4,6-tricyclohexyl-1,3,5-trioxane (PubChem CID 11371116) has the molecular formula C21H36O3 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,4,6-tricyclohexyl-1,3,5-trioxane.

Molecular Properties

Compound Name2,4,6-tricyclohexyl-1,3,5-trioxane
PubChem CID11371116
Molecular FormulaC21H36O3
Molecular Weight336.52 g/mol
Exact Mass336.27
IUPAC Name2,4,6-tricyclohexyl-1,3,5-trioxane
SMILESC1CCC(C2OC(C3CCCCC3)OC(C3CCCCC3)O2)CC1
InChIInChI=1S/C21H36O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h16-21H,1-15H2
InChIKeyMVDCFRCBNYLINX-UHFFFAOYSA-N
XLogP5.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,6-tricyclohexyl-1,3,5-trioxane 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 2,4,6-tricyclohexyl-1,3,5-trioxane?
The IUPAC name of 2,4,6-tricyclohexyl-1,3,5-trioxane (CID 11371116) is 2,4,6-tricyclohexyl-1,3,5-trioxane.
What is the SMILES notation for 2,4,6-tricyclohexyl-1,3,5-trioxane?
The canonical SMILES for 2,4,6-tricyclohexyl-1,3,5-trioxane is C1CCC(C2OC(C3CCCCC3)OC(C3CCCCC3)O2)CC1.
What is the InChIKey of 2,4,6-tricyclohexyl-1,3,5-trioxane?
The InChIKey is MVDCFRCBNYLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h16-21H,1-15H2.
What are the key properties of 2,4,6-tricyclohexyl-1,3,5-trioxane?
2,4,6-tricyclohexyl-1,3,5-trioxane has a molecular weight of 336.52 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclohexyl-1,3,5-trioxane is sourced from PubChem (CID 11371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).