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

C13H24O3 — CID 54451566

IUPAC5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane
SMILESCC1CCC(OCC2OCC(C)CO2)CC1
InChIInChI=1S/C13H24O3/c1-10-3-5-12(6-4-10)14-9-13-15-7-11(2)8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyWVINMGCHAKZMDO-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.59
Rot. Bonds3

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

5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane (PubChem CID 54451566) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane
PubChem CID54451566
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane
SMILESCC1CCC(OCC2OCC(C)CO2)CC1
InChIInChI=1S/C13H24O3/c1-10-3-5-12(6-4-10)14-9-13-15-7-11(2)8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyWVINMGCHAKZMDO-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane?
The IUPAC name of 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane (CID 54451566) is 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane?
The canonical SMILES for 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane is CC1CCC(OCC2OCC(C)CO2)CC1.
What is the InChIKey of 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane?
The InChIKey is WVINMGCHAKZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10-3-5-12(6-4-10)14-9-13-15-7-11(2)8-16-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane?
5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane is sourced from PubChem (CID 54451566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).