2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane

C15H34O3 — CID 158485618

IUPAC2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
SMILESC.C.CC1CCC(C)OC1.CC1COC(C)OC1
InChIInChI=1S/C7H14O.C6H12O2.2CH4/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1H4
InChIKeyHIBGQMSLQNOXNH-UHFFFAOYSA-N
MW262.43 g/mol
LogP4.11
Rot. Bonds

About 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane

2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane (PubChem CID 158485618) has the molecular formula C15H34O3 and a molecular weight of 262.43 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
PubChem CID158485618
Molecular FormulaC15H34O3
Molecular Weight262.43 g/mol
Exact Mass262.25
IUPAC Name2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
SMILESC.C.CC1CCC(C)OC1.CC1COC(C)OC1
InChIInChI=1S/C7H14O.C6H12O2.2CH4/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1H4
InChIKeyHIBGQMSLQNOXNH-UHFFFAOYSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158777415
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyrazine
CID 161141310
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyrimidine
CID 158418990
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane
CID 158486808
2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2-fluoro-1,4-dimethylbenzene
CID 158825397
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
CID 144941728
1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;bis(2,5-dimethyloxane);molecular hydrogen
CID 161124152
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
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
methane;2-methyl-5-propyl-1,3-dioxane;5-methyl-2-propyl-1,3-dioxane
CID 157489835

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane?
The IUPAC name of 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane (CID 158485618) is 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane.
What is the SMILES notation for 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane?
The canonical SMILES for 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane is C.C.CC1CCC(C)OC1.CC1COC(C)OC1.
What is the InChIKey of 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane?
The InChIKey is HIBGQMSLQNOXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12O2.2CH4/c1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*1H4.
What are the key properties of 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane?
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane has a molecular weight of 262.43 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane is sourced from PubChem (CID 158485618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).