4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride

C11H15ClO6 — CID 67314902

IUPAC4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride
SMILESCCOC1(C(=O)O)C=CC(C(=O)O)=C(OC)C1.Cl
InChIInChI=1S/C11H14O6.ClH/c1-3-17-11(10(14)15)5-4-7(9(12)13)8(6-11)16-2;/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,15);1H
InChIKeyZZSRYNXLQLVMQT-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.21
Rot. Bonds5

About 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride

4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride (PubChem CID 67314902) has the molecular formula C11H15ClO6 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride
PubChem CID67314902
Molecular FormulaC11H15ClO6
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride
SMILESCCOC1(C(=O)O)C=CC(C(=O)O)=C(OC)C1.Cl
InChIInChI=1S/C11H14O6.ClH/c1-3-17-11(10(14)15)5-4-7(9(12)13)8(6-11)16-2;/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,15);1H
InChIKeyZZSRYNXLQLVMQT-UHFFFAOYSA-N
XLogP1.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride?
The IUPAC name of 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride (CID 67314902) is 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride?
The canonical SMILES for 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride is CCOC1(C(=O)O)C=CC(C(=O)O)=C(OC)C1.Cl.
What is the InChIKey of 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride?
The InChIKey is ZZSRYNXLQLVMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6.ClH/c1-3-17-11(10(14)15)5-4-7(9(12)13)8(6-11)16-2;/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,15);1H.
What are the key properties of 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride?
4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride has a molecular weight of 278.69 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methoxycyclohexa-1,5-diene-1,4-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 67314902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).