2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine

C11H12O2 — CID 69019282

IUPAC2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine
SMILESCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C11H12O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyYTYBDVDODYNKNX-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.01
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine

2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine (PubChem CID 69019282) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine
PubChem CID69019282
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine
SMILESCC1=COC=C(C2=CC=CCC2)O1
InChIInChI=1S/C11H12O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyYTYBDVDODYNKNX-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.01
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-6-methyl-1,4-dioxine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine (CID 69019282) is 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine is CC1=COC=C(C2=CC=CCC2)O1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine?
The InChIKey is YTYBDVDODYNKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine?
2-cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine has a molecular weight of 176.21 g/mol, XLogP of 3.01, 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-6-methyl-1,4-dioxine is sourced from PubChem (CID 69019282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).