2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid

C9H10O4 — CID 141007280

IUPAC2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESCC1OC2=C(O1)C(C)(C(=O)O)C=C2
InChIInChI=1S/C9H10O4/c1-5-12-6-3-4-9(2,8(10)11)7(6)13-5/h3-5H,1-2H3,(H,10,11)
InChIKeyLBQVCDODIPZWOR-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.25
Rot. Bonds1

About 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid

2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid (PubChem CID 141007280) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
PubChem CID141007280
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESCC1OC2=C(O1)C(C)(C(=O)O)C=C2
InChIInChI=1S/C9H10O4/c1-5-12-6-3-4-9(2,8(10)11)7(6)13-5/h3-5H,1-2H3,(H,10,11)
InChIKeyLBQVCDODIPZWOR-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Di(cyclopenta-1,3-dien-1-yloxy)methyl]prop-2-enoic acid
CID 53834404
4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 54052410
methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 140967907
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007357
methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate
CID 134851988

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid?
The IUPAC name of 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid (CID 141007280) is 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid.
What is the SMILES notation for 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid?
The canonical SMILES for 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid is CC1OC2=C(O1)C(C)(C(=O)O)C=C2.
What is the InChIKey of 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid?
The InChIKey is LBQVCDODIPZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-12-6-3-4-9(2,8(10)11)7(6)13-5/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid?
2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid has a molecular weight of 182.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid is sourced from PubChem (CID 141007280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).