1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid

C10H12O6 — CID 71279376

IUPAC1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESCOC1=CC=CC(C(=O)O)C1(OC)C(=O)O
InChIInChI=1S/C10H12O6/c1-15-7-5-3-4-6(8(11)12)10(7,16-2)9(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyRDENGCQDCXUWCJ-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.26
Rot. Bonds4

About 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid

1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid (PubChem CID 71279376) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
PubChem CID71279376
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESCOC1=CC=CC(C(=O)O)C1(OC)C(=O)O
InChIInChI=1S/C10H12O6/c1-15-7-5-3-4-6(8(11)12)10(7,16-2)9(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyRDENGCQDCXUWCJ-UHFFFAOYSA-N
XLogP0.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

o-Methoxyphthalsaure
CID 19598034
o-Hydroxyphthalsaure
CID 22292283
2,5-Dihydroxyphthalic acid
CID 23366592
m-Dimethoxy-benzoesaure
CID 70448389
2,4-Dimethyloxy-phthalsaureanhydrid
CID 129630250
1,3,4-Trifluoro-2-methoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 18947887
2-Methoxytrimellitic acid
CID 129812413
1,2,3-Trimethoxyphthalic acid
CID 129820491
o-Formyl-2,6-dimethoxybenzoic acid
CID 129882217
2-Methoxy-3-pentyloxyphthalic acid
CID 19363462
1-(2-Methylprop-2-enoyloxy)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 19861625
1,3,4,6-Tetramethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 19981197

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The IUPAC name of 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid (CID 71279376) is 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid.
What is the SMILES notation for 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The canonical SMILES for 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid is COC1=CC=CC(C(=O)O)C1(OC)C(=O)O.
What is the InChIKey of 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
The InChIKey is RDENGCQDCXUWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-15-7-5-3-4-6(8(11)12)10(7,16-2)9(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid?
1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxycyclohexa-3,5-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 71279376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).