2-(1-benzylcyclohexyl)-1,4-dioxane

C17H24O2 — CID 67727429

IUPAC2-(1-benzylcyclohexyl)-1,4-dioxane
SMILESc1ccc(CC2(C3COCCO3)CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-7-15(8-4-1)13-17(9-5-2-6-10-17)16-14-18-11-12-19-16/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJQBXHOLULSHZEI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.60
Rot. Bonds3

About 2-(1-benzylcyclohexyl)-1,4-dioxane

2-(1-benzylcyclohexyl)-1,4-dioxane (PubChem CID 67727429) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(1-benzylcyclohexyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1-benzylcyclohexyl)-1,4-dioxane
PubChem CID67727429
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(1-benzylcyclohexyl)-1,4-dioxane
SMILESc1ccc(CC2(C3COCCO3)CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-7-15(8-4-1)13-17(9-5-2-6-10-17)16-14-18-11-12-19-16/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJQBXHOLULSHZEI-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylcyclohexyl)-1,4-dioxane?
The IUPAC name of 2-(1-benzylcyclohexyl)-1,4-dioxane (CID 67727429) is 2-(1-benzylcyclohexyl)-1,4-dioxane.
What is the SMILES notation for 2-(1-benzylcyclohexyl)-1,4-dioxane?
The canonical SMILES for 2-(1-benzylcyclohexyl)-1,4-dioxane is c1ccc(CC2(C3COCCO3)CCCCC2)cc1.
What is the InChIKey of 2-(1-benzylcyclohexyl)-1,4-dioxane?
The InChIKey is JQBXHOLULSHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-7-15(8-4-1)13-17(9-5-2-6-10-17)16-14-18-11-12-19-16/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 2-(1-benzylcyclohexyl)-1,4-dioxane?
2-(1-benzylcyclohexyl)-1,4-dioxane has a molecular weight of 260.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylcyclohexyl)-1,4-dioxane is sourced from PubChem (CID 67727429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).