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

C19H28O2 — CID 54361723

IUPAC5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
SMILESCc1ccc(CC2CCC(C3OCC(C)CO3)CC2)cc1
InChIInChI=1S/C19H28O2/c1-14-3-5-16(6-4-14)11-17-7-9-18(10-8-17)19-20-12-15(2)13-21-19/h3-6,15,17-19H,7-13H2,1-2H3
InChIKeyUMZBKSHSJLOEJJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.35
Rot. Bonds3

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

5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane (PubChem CID 54361723) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
PubChem CID54361723
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
SMILESCc1ccc(CC2CCC(C3OCC(C)CO3)CC2)cc1
InChIInChI=1S/C19H28O2/c1-14-3-5-16(6-4-14)11-17-7-9-18(10-8-17)19-20-12-15(2)13-21-19/h3-6,15,17-19H,7-13H2,1-2H3
InChIKeyUMZBKSHSJLOEJJ-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane?
The IUPAC name of 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane (CID 54361723) is 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane?
The canonical SMILES for 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane is Cc1ccc(CC2CCC(C3OCC(C)CO3)CC2)cc1.
What is the InChIKey of 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane?
The InChIKey is UMZBKSHSJLOEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14-3-5-16(6-4-14)11-17-7-9-18(10-8-17)19-20-12-15(2)13-21-19/h3-6,15,17-19H,7-13H2,1-2H3.
What are the key properties of 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane?
5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane has a molecular weight of 288.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 54361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).