1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid

C12H16O8 — CID 19981197

IUPAC1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESCOC1=CC(OC)=C(OC)C(C(=O)O)C1(OC)C(=O)O
InChIInChI=1S/C12H16O8/c1-17-6-5-7(18-2)12(20-4,11(15)16)8(10(13)14)9(6)19-3/h5,8H,1-4H3,(H,13,14)(H,15,16)
InChIKeySLZMSAGGLPXCTI-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.21
Rot. Bonds6

About 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid

1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid (PubChem CID 19981197) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
PubChem CID19981197
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Name1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESCOC1=CC(OC)=C(OC)C(C(=O)O)C1(OC)C(=O)O
InChIInChI=1S/C12H16O8/c1-17-6-5-7(18-2)12(20-4,11(15)16)8(10(13)14)9(6)19-3/h5,8H,1-4H3,(H,13,14)(H,15,16)
InChIKeySLZMSAGGLPXCTI-UHFFFAOYSA-N
XLogP0.21
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The IUPAC name of 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid (CID 19981197) is 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid.
What is the SMILES notation for 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The canonical SMILES for 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid is COC1=CC(OC)=C(OC)C(C(=O)O)C1(OC)C(=O)O.
What is the InChIKey of 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The InChIKey is SLZMSAGGLPXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8/c1-17-6-5-7(18-2)12(20-4,11(15)16)8(10(13)14)9(6)19-3/h5,8H,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 19981197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).