2-cyclohexyl-1,3-dioxane

C10H18O2 — CID 11344247

IUPAC2-cyclohexyl-1,3-dioxane
SMILESC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C10H18O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyQRAFTXVGPHGUNK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds1

About 2-cyclohexyl-1,3-dioxane

2-cyclohexyl-1,3-dioxane (PubChem CID 11344247) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxane.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxane
PubChem CID11344247
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-cyclohexyl-1,3-dioxane
SMILESC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C10H18O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyQRAFTXVGPHGUNK-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
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
cis-2-Methyl-butyl-1,3-dioxane
CID 142339
Cyclohexane, (dimethoxymethyl)-
CID 10942729
2,4,6-Tricyclohexyl-1,3,5-trioxane
CID 11371116
9-Methyl-1,5-dioxaspiro[5.5]undecane
CID 221895
5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
cis-2-Hexyl-5-methyl-1,3-dioxane
CID 142545
Cyclohexane, (diethoxymethyl)-
CID 10943197
(2,2-Diethoxyethyl)cyclohexane
CID 13163948
2-(cyclohexylmethoxy)tetrahydro-2H-pyran
CID 13184695
((Methoxymethoxy)methyl)cyclohexane
CID 13203846

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxane?
The IUPAC name of 2-cyclohexyl-1,3-dioxane (CID 11344247) is 2-cyclohexyl-1,3-dioxane.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxane?
The canonical SMILES for 2-cyclohexyl-1,3-dioxane is C1CCC(C2OCCCO2)CC1.
What is the InChIKey of 2-cyclohexyl-1,3-dioxane?
The InChIKey is QRAFTXVGPHGUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2.
What are the key properties of 2-cyclohexyl-1,3-dioxane?
2-cyclohexyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxane is sourced from PubChem (CID 11344247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).