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

C22H34O2 — CID 20591367

IUPAC5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane
SMILESCc1cc(CC2OCC(CC3CCC(C)CC3)CO2)cc(C)c1C
InChIInChI=1S/C22H34O2/c1-15-5-7-19(8-6-15)11-21-13-23-22(24-14-21)12-20-9-16(2)18(4)17(3)10-20/h9-10,15,19,21-22H,5-8,11-14H2,1-4H3
InChIKeyXCHOMFMEXUOYSK-UHFFFAOYSA-N
MW330.51 g/mol
LogP5.36
Rot. Bonds4

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

5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane (PubChem CID 20591367) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane
PubChem CID20591367
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane
SMILESCc1cc(CC2OCC(CC3CCC(C)CC3)CO2)cc(C)c1C
InChIInChI=1S/C22H34O2/c1-15-5-7-19(8-6-15)11-21-13-23-22(24-14-21)12-20-9-16(2)18(4)17(3)10-20/h9-10,15,19,21-22H,5-8,11-14H2,1-4H3
InChIKeyXCHOMFMEXUOYSK-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine
CID 90685437
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
1,3-difluoro-2,8-dimethyl-6-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]naphthalene
CID 118908520
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium
CID 59931202
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethylcyclopropane;2-ethyloxirane;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene;hydrate
CID 166480862
2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
CID 159912405
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
CID 21363214
2-[difluoro-[4-[[4-[(3,4,5-trimethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methoxy]-1,3,5-trimethylbenzene
CID 122659397

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane?
The IUPAC name of 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane (CID 20591367) is 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane.
What is the SMILES notation for 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane?
The canonical SMILES for 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane is Cc1cc(CC2OCC(CC3CCC(C)CC3)CO2)cc(C)c1C.
What is the InChIKey of 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane?
The InChIKey is XCHOMFMEXUOYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-15-5-7-19(8-6-15)11-21-13-23-22(24-14-21)12-20-9-16(2)18(4)17(3)10-20/h9-10,15,19,21-22H,5-8,11-14H2,1-4H3.
What are the key properties of 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane?
5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane has a molecular weight of 330.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane is sourced from PubChem (CID 20591367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).