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

C15H28O2 — CID 18721136

IUPAC5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane
SMILESCC1CCC(CCCC2OCC(C)CO2)CC1
InChIInChI=1S/C15H28O2/c1-12-6-8-14(9-7-12)4-3-5-15-16-10-13(2)11-17-15/h12-15H,3-11H2,1-2H3
InChIKeyJYHPVRYPPQPAFH-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds4

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

5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane (PubChem CID 18721136) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane
PubChem CID18721136
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane
SMILESCC1CCC(CCCC2OCC(C)CO2)CC1
InChIInChI=1S/C15H28O2/c1-12-6-8-14(9-7-12)4-3-5-15-16-10-13(2)11-17-15/h12-15H,3-11H2,1-2H3
InChIKeyJYHPVRYPPQPAFH-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hexyl-2-methyl-1,3-dioxane
CID 31465
5-Hexyl-2-(1-methylethyl)-1,3-dioxane
CID 31466
2-Cyclohexyl-1,3-dioxane
CID 11344247
5-Fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
CID 15405275
2-[2-(4-Tert-butyl-1-fluorocyclohexyl)ethyl]-1,3-dioxane
CID 176437282
(2,2-Diethoxyethyl)cyclohexane
CID 13163948
2-(2-Cyclohexylethyl)-1,3-dioxane
CID 13801295
hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
CID 114471
2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
CID 189247
9-Isopropyl-1,5-dioxaspiro(5.5)undecane
CID 6455055
5-Fluoro-5-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)-1,3-dioxane
CID 17781232
2-(2-Fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344141

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane?
The IUPAC name of 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane (CID 18721136) is 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane?
The canonical SMILES for 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane is CC1CCC(CCCC2OCC(C)CO2)CC1.
What is the InChIKey of 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane?
The InChIKey is JYHPVRYPPQPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12-6-8-14(9-7-12)4-3-5-15-16-10-13(2)11-17-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane?
5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(4-methylcyclohexyl)propyl]-1,3-dioxane is sourced from PubChem (CID 18721136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).