2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane

C15H30O2 — CID 144941728

IUPAC2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
SMILESCC1CCC(C)C(C)C1.CC1COC(C)OC1
InChIInChI=1S/C9H18.C6H12O2/c1-7-4-5-8(2)9(3)6-7;1-5-3-7-6(2)8-4-5/h7-9H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyKFQCOEPNQNJALU-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.09
Rot. Bonds

About 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane

2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane (PubChem CID 144941728) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
PubChem CID144941728
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
SMILESCC1CCC(C)C(C)C1.CC1COC(C)OC1
InChIInChI=1S/C9H18.C6H12O2/c1-7-4-5-8(2)9(3)6-7;1-5-3-7-6(2)8-4-5/h7-9H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyKFQCOEPNQNJALU-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
1,2,4,7-tetramethylcyclononane
CID 123661715
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158485618
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412
tris(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158777415
(2S)-2,3,5-trimethyloxane
CID 58758243
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);2,5-dimethyl-1,3-dioxane;bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylcyclohexane;molecular hydrogen;dihydrate
CID 161144190
3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839769

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane?
The IUPAC name of 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane (CID 144941728) is 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane.
What is the SMILES notation for 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane?
The canonical SMILES for 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane is CC1CCC(C)C(C)C1.CC1COC(C)OC1.
What is the InChIKey of 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane?
The InChIKey is KFQCOEPNQNJALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C6H12O2/c1-7-4-5-8(2)9(3)6-7;1-5-3-7-6(2)8-4-5/h7-9H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane?
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane has a molecular weight of 242.40 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane is sourced from PubChem (CID 144941728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).