2-cyclohexa-1,3-dien-1-yl-1,4-dioxine

C10H10O2 — CID 57479383

IUPAC2-cyclohexa-1,3-dien-1-yl-1,4-dioxine
SMILESC1=CCCC(C2=COC=CO2)=C1
InChIInChI=1S/C10H10O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-2,4,6-8H,3,5H2
InChIKeyIQCFNPBZKKTSSX-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.62
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine

2-cyclohexa-1,3-dien-1-yl-1,4-dioxine (PubChem CID 57479383) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-1,4-dioxine
PubChem CID57479383
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-cyclohexa-1,3-dien-1-yl-1,4-dioxine
SMILESC1=CCCC(C2=COC=CO2)=C1
InChIInChI=1S/C10H10O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-2,4,6-8H,3,5H2
InChIKeyIQCFNPBZKKTSSX-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine (CID 57479383) is 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine is C1=CCCC(C2=COC=CO2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine?
The InChIKey is IQCFNPBZKKTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-2,4,6-8H,3,5H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine?
2-cyclohexa-1,3-dien-1-yl-1,4-dioxine has a molecular weight of 162.19 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-1,4-dioxine is sourced from PubChem (CID 57479383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).