2-(cyclohexen-1-yl)-1,4-dioxane

C10H16O2 — CID 57296326

IUPAC2-(cyclohexen-1-yl)-1,4-dioxane
SMILESC1=C(C2COCCO2)CCCC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h4,10H,1-3,5-8H2
InChIKeyDJWFSBWBZSFYOJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds1

About 2-(cyclohexen-1-yl)-1,4-dioxane

2-(cyclohexen-1-yl)-1,4-dioxane (PubChem CID 57296326) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,4-dioxane
PubChem CID57296326
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(cyclohexen-1-yl)-1,4-dioxane
SMILESC1=C(C2COCCO2)CCCC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h4,10H,1-3,5-8H2
InChIKeyDJWFSBWBZSFYOJ-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,4-dioxane?
The IUPAC name of 2-(cyclohexen-1-yl)-1,4-dioxane (CID 57296326) is 2-(cyclohexen-1-yl)-1,4-dioxane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,4-dioxane?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,4-dioxane is C1=C(C2COCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,4-dioxane?
The InChIKey is DJWFSBWBZSFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h4,10H,1-3,5-8H2.
What are the key properties of 2-(cyclohexen-1-yl)-1,4-dioxane?
2-(cyclohexen-1-yl)-1,4-dioxane has a molecular weight of 168.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1,4-dioxane is sourced from PubChem (CID 57296326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).