5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione

C9H12O4 — CID 57135073

IUPAC5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione
SMILESCOC1C(=O)C=CC(=O)C1(C)OC
InChIInChI=1S/C9H12O4/c1-9(13-3)7(11)5-4-6(10)8(9)12-2/h4-5,8H,1-3H3
InChIKeyOAYILGQBOABURL-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.11
Rot. Bonds2

About 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione

5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione (PubChem CID 57135073) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione
PubChem CID57135073
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione
SMILESCOC1C(=O)C=CC(=O)C1(C)OC
InChIInChI=1S/C9H12O4/c1-9(13-3)7(11)5-4-6(10)8(9)12-2/h4-5,8H,1-3H3
InChIKeyOAYILGQBOABURL-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione?
The IUPAC name of 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione (CID 57135073) is 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione is COC1C(=O)C=CC(=O)C1(C)OC.
What is the InChIKey of 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione?
The InChIKey is OAYILGQBOABURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-9(13-3)7(11)5-4-6(10)8(9)12-2/h4-5,8H,1-3H3.
What are the key properties of 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione?
5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione has a molecular weight of 184.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-5-methylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 57135073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).