2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione

C9H10O4 — CID 10559424

IUPAC2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
SMILES[2H]C([2H])([2H])C1=CC(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3/i1D3
InChIKeyUIXPTCZPFCVOQF-FIBGUPNXSA-N
MW185.19 g/mol
LogP0.59
Rot. Bonds3

About 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione

2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 10559424) has the molecular formula C9H10O4 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID10559424
Molecular FormulaC9H10O4
Molecular Weight185.19 g/mol
Exact Mass185.08
IUPAC Name2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
SMILES[2H]C([2H])([2H])C1=CC(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3/i1D3
InChIKeyUIXPTCZPFCVOQF-FIBGUPNXSA-N
XLogP0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.59
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'}

Analyze 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethoxy-5-methyl(513C)cyclohexa-2,5-diene-1,4-dione
CID 102024509
2-deuterio-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 46850868
5-methoxy-2-(trideuteriomethyl)naphthalene-1,4-dione
CID 162641575
2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
CID 145481857
3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 642461
5-butyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 24973737
5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 10583219
5-(4-aminophenyl)sulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 10446994
2,3-dimethoxy-5,6-dioxocyclohexa-1,3-diene-1-carbaldehyde
CID 101141525
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
2-butoxy-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 71336521
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione (CID 10559424) is 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione is [2H]C([2H])([2H])C1=CC(=O)C(OC)=C(OC)C1=O.
What is the InChIKey of 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is UIXPTCZPFCVOQF-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3/i1D3.
What are the key properties of 2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione?
2,3-dimethoxy-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 185.19 g/mol, XLogP of 0.59, 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-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10559424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).