2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane

C15H24O4 — CID 157277513

IUPAC2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane
SMILESC.C.COC1=C(OC)C(=O)C(C=C(C)C)=C(C)C1=O
InChIInChI=1S/C13H16O4.2CH4/c1-7(2)6-9-8(3)10(14)12(16-4)13(17-5)11(9)15;;/h6H,1-5H3;2*1H4
InChIKeyAZGWTLRYEXUQLO-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.20
Rot. Bonds3

About 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane

2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane (PubChem CID 157277513) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane
PubChem CID157277513
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane
SMILESC.C.COC1=C(OC)C(=O)C(C=C(C)C)=C(C)C1=O
InChIInChI=1S/C13H16O4.2CH4/c1-7(2)6-9-8(3)10(14)12(16-4)13(17-5)11(9)15;;/h6H,1-5H3;2*1H4
InChIKeyAZGWTLRYEXUQLO-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane (CID 157277513) is 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane is C.C.COC1=C(OC)C(=O)C(C=C(C)C)=C(C)C1=O.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane?
The InChIKey is AZGWTLRYEXUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4.2CH4/c1-7(2)6-9-8(3)10(14)12(16-4)13(17-5)11(9)15;;/h6H,1-5H3;2*1H4.
What are the key properties of 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane?
2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane has a molecular weight of 268.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-(2-methylprop-1-enyl)cyclohexa-2,5-diene-1,4-dione;methane is sourced from PubChem (CID 157277513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).