1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane

C16H34O2 — CID 144529308

IUPAC1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
SMILESCC.CC1CCC(C)CC1.CC1COC(C)OC1
InChIInChI=1S/C8H16.C6H12O2.C2H6/c1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;1-2/h7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZQSCPJCTCVRWFM-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.87
Rot. Bonds

About 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane

1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane (PubChem CID 144529308) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
PubChem CID144529308
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
SMILESCC.CC1CCC(C)CC1.CC1COC(C)OC1
InChIInChI=1S/C8H16.C6H12O2.C2H6/c1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;1-2/h7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZQSCPJCTCVRWFM-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158485618
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
CID 144941728
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;2,5-dimethylpyrazine
CID 161141310
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
2,6-dimethyl-1,3-dioxocane
CID 67957151
ethane;methylcyclopropane
CID 158329065
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
tetrakis(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;bis(2,5-dimethylpyrimidine);methane;bis(1,2,3,5-tetramethylbenzene)
CID 160544894
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 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane?
The IUPAC name of 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane (CID 144529308) is 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane.
What is the SMILES notation for 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane?
The canonical SMILES for 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane is CC.CC1CCC(C)CC1.CC1COC(C)OC1.
What is the InChIKey of 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane?
The InChIKey is ZQSCPJCTCVRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H12O2.C2H6/c1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;1-2/h7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane?
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane has a molecular weight of 258.45 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane is sourced from PubChem (CID 144529308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).