5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid

C12H12O4 — CID 152553767

IUPAC5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid
SMILESCC=c1c(C(=O)O)ccc(C(=O)O)c1=CC
InChIInChI=1S/C12H12O4/c1-3-7-8(4-2)10(12(15)16)6-5-9(7)11(13)14/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYOAMRLPOGYCLML-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.68
Rot. Bonds2

About 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid

5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid (PubChem CID 152553767) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid
PubChem CID152553767
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid
SMILESCC=c1c(C(=O)O)ccc(C(=O)O)c1=CC
InChIInChI=1S/C12H12O4/c1-3-7-8(4-2)10(12(15)16)6-5-9(7)11(13)14/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYOAMRLPOGYCLML-UHFFFAOYSA-N
XLogP0.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid?
The IUPAC name of 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid (CID 152553767) is 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid.
What is the SMILES notation for 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid?
The canonical SMILES for 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid is CC=c1c(C(=O)O)ccc(C(=O)O)c1=CC.
What is the InChIKey of 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid?
The InChIKey is YOAMRLPOGYCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-7-8(4-2)10(12(15)16)6-5-9(7)11(13)14/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid?
5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(ethylidene)cyclohexa-1,3-diene-1,4-dicarboxylic acid is sourced from PubChem (CID 152553767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).