2-(cyclohexen-1-yl)-1,3-dioxane

C10H16O2 — CID 57103168

IUPAC2-(cyclohexen-1-yl)-1,3-dioxane
SMILESC1=C(C2OCCCO2)CCCC1
InChIInChI=1S/C10H16O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h5,10H,1-4,6-8H2
InChIKeyGTGWNAPVSRWNJG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds1

About 2-(cyclohexen-1-yl)-1,3-dioxane

2-(cyclohexen-1-yl)-1,3-dioxane (PubChem CID 57103168) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,3-dioxane
PubChem CID57103168
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(cyclohexen-1-yl)-1,3-dioxane
SMILESC1=C(C2OCCCO2)CCCC1
InChIInChI=1S/C10H16O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h5,10H,1-4,6-8H2
InChIKeyGTGWNAPVSRWNJG-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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)-1,3-dioxane?
The IUPAC name of 2-(cyclohexen-1-yl)-1,3-dioxane (CID 57103168) is 2-(cyclohexen-1-yl)-1,3-dioxane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,3-dioxane?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,3-dioxane is C1=C(C2OCCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,3-dioxane?
The InChIKey is GTGWNAPVSRWNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h5,10H,1-4,6-8H2.
What are the key properties of 2-(cyclohexen-1-yl)-1,3-dioxane?
2-(cyclohexen-1-yl)-1,3-dioxane has a molecular weight of 168.24 g/mol, XLogP of 2.25, 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)-1,3-dioxane is sourced from PubChem (CID 57103168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).