dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate

C10H12O6 — CID 54679371

IUPACdimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
SMILESCOC(=O)C1=C(O)C(O)=C(C(=O)OC)CC1
InChIInChI=1S/C10H12O6/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h11-12H,3-4H2,1-2H3
InChIKeyDSTCLHWPPKAYGK-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.75
Rot. Bonds2

About dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate

dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate (PubChem CID 54679371) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
PubChem CID54679371
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Namedimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
SMILESCOC(=O)C1=C(O)C(O)=C(C(=O)OC)CC1
InChIInChI=1S/C10H12O6/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h11-12H,3-4H2,1-2H3
InChIKeyDSTCLHWPPKAYGK-UHFFFAOYSA-N
XLogP0.75
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate 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

methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
methyl 2-methyl-5-oxocycloheptene-1-carboxylate
CID 11830056
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
ethane;methanethiol;methyl 4-hydroxy-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 145044515
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
methyl 2-(2,2-dimethylpropylcarbamoyl)cyclobutene-1-carboxylate
CID 176757614
methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
CID 90258796
methyl 5-amino-2,3-dihydrofuran-4-carboxylate
CID 12645597
methyl 2-propan-2-ylcyclopentene-1-carboxylate
CID 90076425
7,8-dihydro-6H-isoquinolin-5-one;methane;methyl 5-hydroxy-7,8-dihydroisoquinoline-6-carboxylate
CID 162063250
dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
CID 151611758
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 14089449

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate (CID 54679371) is dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate is COC(=O)C1=C(O)C(O)=C(C(=O)OC)CC1.
What is the InChIKey of dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate?
The InChIKey is DSTCLHWPPKAYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h11-12H,3-4H2,1-2H3.
What are the key properties of dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate?
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate has a molecular weight of 228.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate is sourced from PubChem (CID 54679371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).