(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid

C10H10O4 — CID 139338173

IUPAC(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid
SMILESC/C=c1/oc(C(=O)O)cc(=O)/c1=C/C
InChIInChI=1S/C10H10O4/c1-3-6-7(11)5-9(10(12)13)14-8(6)4-2/h3-5H,1-2H3,(H,12,13)/b6-3-,8-4+
InChIKeyHPEXUQYPLVHHAN-TTZRGRENSA-N
MW194.19 g/mol
LogP-0.06
Rot. Bonds1

About (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid

(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid (PubChem CID 139338173) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid
PubChem CID139338173
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid
SMILESC/C=c1/oc(C(=O)O)cc(=O)/c1=C/C
InChIInChI=1S/C10H10O4/c1-3-6-7(11)5-9(10(12)13)14-8(6)4-2/h3-5H,1-2H3,(H,12,13)/b6-3-,8-4+
InChIKeyHPEXUQYPLVHHAN-TTZRGRENSA-N
XLogP-0.06
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid?
The IUPAC name of (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid (CID 139338173) is (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid?
The canonical SMILES for (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid is C/C=c1/oc(C(=O)O)cc(=O)/c1=C/C.
What is the InChIKey of (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid?
The InChIKey is HPEXUQYPLVHHAN-TTZRGRENSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-6-7(11)5-9(10(12)13)14-8(6)4-2/h3-5H,1-2H3,(H,12,13)/b6-3-,8-4+.
What are the key properties of (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid?
(5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5,6-di(ethylidene)-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 139338173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).