1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid

C12H16O6 — CID 67387986

IUPAC1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid
SMILESCCC1(C(=O)O)C=C(O)C(CC)(C(=O)O)C=C1O
InChIInChI=1S/C12H16O6/c1-3-11(9(15)16)5-8(14)12(4-2,10(17)18)6-7(11)13/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFUKGFFQTLMIFAN-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.85
Rot. Bonds4

About 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid

1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid (PubChem CID 67387986) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid
PubChem CID67387986
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid
SMILESCCC1(C(=O)O)C=C(O)C(CC)(C(=O)O)C=C1O
InChIInChI=1S/C12H16O6/c1-3-11(9(15)16)5-8(14)12(4-2,10(17)18)6-7(11)13/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFUKGFFQTLMIFAN-UHFFFAOYSA-N
XLogP1.85
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid?
The IUPAC name of 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid (CID 67387986) is 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid.
What is the SMILES notation for 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid?
The canonical SMILES for 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid is CCC1(C(=O)O)C=C(O)C(CC)(C(=O)O)C=C1O.
What is the InChIKey of 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid?
The InChIKey is FUKGFFQTLMIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-3-11(9(15)16)5-8(14)12(4-2,10(17)18)6-7(11)13/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid?
1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dicarboxylic acid is sourced from PubChem (CID 67387986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).