2-cyclohexyl-5,5-dimethyl-1,3-dioxane

C12H22O2 — CID 12064939

IUPAC2-cyclohexyl-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(C2CCCCC2)OC1
InChIInChI=1S/C12H22O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyXSHBAKXCTRIMJB-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds1

About 2-cyclohexyl-5,5-dimethyl-1,3-dioxane

2-cyclohexyl-5,5-dimethyl-1,3-dioxane (PubChem CID 12064939) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cyclohexyl-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-cyclohexyl-5,5-dimethyl-1,3-dioxane
PubChem CID12064939
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-cyclohexyl-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(C2CCCCC2)OC1
InChIInChI=1S/C12H22O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyXSHBAKXCTRIMJB-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hexyl-2-methyl-1,3-dioxane
CID 31465
5-Hexyl-2-(1-methylethyl)-1,3-dioxane
CID 31466
Cyclohexaneorthocarboxylic acid, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
CID 175721
2-Hexyl-5,5-dimethyl-1,3-dioxane
CID 83289
cis-2-Methyl-butyl-1,3-dioxane
CID 142339
Cyclohexane, (dimethoxymethyl)-
CID 10942729
2-Cyclohexyl-1,3-dioxane
CID 11344247
9-Methyl-1,5-dioxaspiro[5.5]undecane
CID 221895
5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
3,3,9-Trimethyl-1,5-dioxaspiro[5.5]undecane
CID 236078
2-Hexyl-5-methyl-5-propyl-1,3-dioxane
CID 95889
cis-2-Hexyl-5-methyl-1,3-dioxane
CID 142545

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-cyclohexyl-5,5-dimethyl-1,3-dioxane (CID 12064939) is 2-cyclohexyl-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-cyclohexyl-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-cyclohexyl-5,5-dimethyl-1,3-dioxane is CC1(C)COC(C2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyl-5,5-dimethyl-1,3-dioxane?
The InChIKey is XSHBAKXCTRIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-5,5-dimethyl-1,3-dioxane?
2-cyclohexyl-5,5-dimethyl-1,3-dioxane has a molecular weight of 198.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 12064939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).