2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane

C24H42O2 — CID 21359943

IUPAC2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESCC1CCC(C2CCC(C3COC(C4CCC(C)CC4)OC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-17-3-7-19(8-4-17)20-11-13-21(14-12-20)23-15-25-24(26-16-23)22-9-5-18(2)6-10-22/h17-24H,3-16H2,1-2H3
InChIKeyADWAEDQGUVEVKK-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.43
Rot. Bonds3

About 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane

2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane (PubChem CID 21359943) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
PubChem CID21359943
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESCC1CCC(C2CCC(C3COC(C4CCC(C)CC4)OC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-17-3-7-19(8-4-17)20-11-13-21(14-12-20)23-15-25-24(26-16-23)22-9-5-18(2)6-10-22/h17-24H,3-16H2,1-2H3
InChIKeyADWAEDQGUVEVKK-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane with MolForge

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Related Compounds

2,4,6-Tricyclohexyl-1,3,5-trioxane
CID 11371116
5-Fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
CID 15405275
5-Fluoro-5-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)-1,3-dioxane
CID 17781232
2-(2-Fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 18344137
2-(2-Fluoroethyl)-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 18344139
2-(2-Fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 18344143
2-[4-(2-Fluoroethyl)cyclohexyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344175
2-[4-(2-Fluoroethyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 18344177
2-[4-(2-Fluoroethyl)cyclohexyl]-5-pentyl-1,3-dioxane
CID 18344184
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
CID 18344196
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 18344199
2-[4-(4-Hexoxycyclohexyl)cyclohexyl]-5-(4,4,4-trifluorobutyl)-1,3-dioxane
CID 19026516

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane (CID 21359943) is 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane is CC1CCC(C2CCC(C3COC(C4CCC(C)CC4)OC3)CC2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The InChIKey is ADWAEDQGUVEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-17-3-7-19(8-4-17)20-11-13-21(14-12-20)23-15-25-24(26-16-23)22-9-5-18(2)6-10-22/h17-24H,3-16H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane has a molecular weight of 362.60 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 21359943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).