dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate

C10H12O6 — CID 67068970

IUPACdimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC=CC(O)(C(=O)OC)C1O
InChIInChI=1S/C10H12O6/c1-15-8(12)6-4-3-5-10(14,7(6)11)9(13)16-2/h3-5,7,11,14H,1-2H3
InChIKeyHZEQWZPNZIEMRW-UHFFFAOYSA-N
MW228.20 g/mol
LogP-1.08
Rot. Bonds2

About dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate

dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate (PubChem CID 67068970) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate
PubChem CID67068970
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Namedimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC=CC(O)(C(=O)OC)C1O
InChIInChI=1S/C10H12O6/c1-15-8(12)6-4-3-5-10(14,7(6)11)9(13)16-2/h3-5,7,11,14H,1-2H3
InChIKeyHZEQWZPNZIEMRW-UHFFFAOYSA-N
XLogP-1.08
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 ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
CID 176533311
dimethyl 1-methoxycyclohexa-3,5-diene-1,3-dicarboxylate
CID 20531473
methyl 1,5-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 22722569
dimethyl 6-bromo-3-methylcyclohexa-1,4-diene-1,3-dicarboxylate
CID 10661068
dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate
CID 70373888
1,6-dihydroxy-5-methoxycyclohexa-2,4-diene-1-sulfonic acid
CID 139603557
methyl 2-hydroxy-2H-pyran-6-carboxylate
CID 174562312
dimethyl (1S,2R,6R,7S)-6,7-dihydroxy-5,8,11,12-tetraoxotricyclo[5.3.1.12,6]dodeca-3,9-diene-3,10-dicarboxylate
CID 10737472
methyl 6-tert-butyl-2,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 69278727
methyl 2,3,3a,7a-tetrahydro-1H-benzimidazole-4-carboxylate
CID 91144826
methyl 6-hydroxy-4-oxocyclohexene-1-carboxylate
CID 123495961
dimethyl (1R,5R)-1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-2,6-dicarboxylate
CID 101100221

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate (CID 67068970) is dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate is COC(=O)C1=CC=CC(O)(C(=O)OC)C1O.
What is the InChIKey of dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate?
The InChIKey is HZEQWZPNZIEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-15-8(12)6-4-3-5-10(14,7(6)11)9(13)16-2/h3-5,7,11,14H,1-2H3.
What are the key properties of dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate?
dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate has a molecular weight of 228.20 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 67068970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).