2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid

C14H14O7 — CID 15859427

IUPAC2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)OC(=O)C2=C(C(=O)O)CCC2)CCC1
InChIInChI=1S/C14H14O7/c15-11(16)7-3-1-5-9(7)13(19)21-14(20)10-6-2-4-8(10)12(17)18/h1-6H2,(H,15,16)(H,17,18)
InChIKeyDLBOOHUMFROPOW-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.19
Rot. Bonds4

About 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid

2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid (PubChem CID 15859427) has the molecular formula C14H14O7 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid
PubChem CID15859427
Molecular FormulaC14H14O7
Molecular Weight294.26 g/mol
Exact Mass294.07
IUPAC Name2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)OC(=O)C2=C(C(=O)O)CCC2)CCC1
InChIInChI=1S/C14H14O7/c15-11(16)7-3-1-5-9(7)13(19)21-14(20)10-6-2-4-8(10)12(17)18/h1-6H2,(H,15,16)(H,17,18)
InChIKeyDLBOOHUMFROPOW-UHFFFAOYSA-N
XLogP1.19
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid?
The IUPAC name of 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid (CID 15859427) is 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)OC(=O)C2=C(C(=O)O)CCC2)CCC1.
What is the InChIKey of 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid?
The InChIKey is DLBOOHUMFROPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O7/c15-11(16)7-3-1-5-9(7)13(19)21-14(20)10-6-2-4-8(10)12(17)18/h1-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid?
2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid has a molecular weight of 294.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxycyclopentene-1-carbonyl)oxycarbonylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 15859427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).