4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid

C7H6O4 — CID 54052410

IUPAC4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESO=C(O)C1C=CC2=C1OCO2
InChIInChI=1S/C7H6O4/c8-7(9)4-1-2-5-6(4)11-3-10-5/h1-2,4H,3H2,(H,8,9)
InChIKeyLTVSZLJYEZWMET-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.47
Rot. Bonds1

About 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid

4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid (PubChem CID 54052410) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid.

Molecular Properties

Compound Name4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
PubChem CID54052410
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESO=C(O)C1C=CC2=C1OCO2
InChIInChI=1S/C7H6O4/c8-7(9)4-1-2-5-6(4)11-3-10-5/h1-2,4H,3H2,(H,8,9)
InChIKeyLTVSZLJYEZWMET-UHFFFAOYSA-N
XLogP0.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 140967907
2,4-Dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007280
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007357

Frequently Asked Questions

What is the IUPAC name of 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The IUPAC name of 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid (CID 54052410) is 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid.
What is the SMILES notation for 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The canonical SMILES for 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid is O=C(O)C1C=CC2=C1OCO2.
What is the InChIKey of 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The InChIKey is LTVSZLJYEZWMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-7(9)4-1-2-5-6(4)11-3-10-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid is sourced from PubChem (CID 54052410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).