6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid

C11H14O4 — CID 146295493

IUPAC6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESC=CC1(OC)C=CC=C(OC)C1C(=O)O
InChIInChI=1S/C11H14O4/c1-4-11(15-3)7-5-6-8(14-2)9(11)10(12)13/h4-7,9H,1H2,2-3H3,(H,12,13)
InChIKeyWDOVVFWUQNPITA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds4

About 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid

6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 146295493) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID146295493
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESC=CC1(OC)C=CC=C(OC)C1C(=O)O
InChIInChI=1S/C11H14O4/c1-4-11(15-3)7-5-6-8(14-2)9(11)10(12)13/h4-7,9H,1H2,2-3H3,(H,12,13)
InChIKeyWDOVVFWUQNPITA-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid 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

6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol
CID 141367843
1,6-dihydroxy-5-methoxycyclohexa-2,4-diene-1-sulfonic acid
CID 139603557
3,5-dimethyl-3,5-bis(1,5,6-trimethoxycyclohexa-2,4-dien-1-yl)heptan-4-one
CID 67758876
5,6-dichloro-5,6-dimethoxycyclohexa-1,3-diene-1-carboxylic acid
CID 151640389
(2R,5S)-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
CID 131858045
1,3-bis(prop-2-enyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid;propane-1,2,3-triol
CID 175918031
1-(4,4-dimethoxycyclohexa-2,5-dien-1-yl)ethanone
CID 22465105
(1S,2R)-1-methyl-3-nitrocyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 97303727
2,6-dichloro-6-(chloromethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 67862925
ethenylcyclopropane;2-fluoro-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174359930
5-bromo-2-methoxy-6-oxocyclohexa-2,4-diene-1-carbaldehyde
CID 175521139
7-methoxy-3a,7a-dihydro-1H-indazole-3-carboxylic acid
CID 69187050

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid (CID 146295493) is 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid is C=CC1(OC)C=CC=C(OC)C1C(=O)O.
What is the InChIKey of 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is WDOVVFWUQNPITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-11(15-3)7-5-6-8(14-2)9(11)10(12)13/h4-7,9H,1H2,2-3H3,(H,12,13).
What are the key properties of 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid?
6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,6-dimethoxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 146295493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).