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

C8H8O4 — CID 141007357

IUPAC2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESCC1OC2=C(O1)C(C(=O)O)C=C2
InChIInChI=1S/C8H8O4/c1-4-11-6-3-2-5(8(9)10)7(6)12-4/h2-5H,1H3,(H,9,10)
InChIKeyKYELKUVJPCVQEV-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.86
Rot. Bonds1

About 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid

2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid (PubChem CID 141007357) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
PubChem CID141007357
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
SMILESCC1OC2=C(O1)C(C(=O)O)C=C2
InChIInChI=1S/C8H8O4/c1-4-11-6-3-2-5(8(9)10)7(6)12-4/h2-5H,1H3,(H,9,10)
InChIKeyKYELKUVJPCVQEV-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.86
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
(2-ethyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 140389763
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]dioxol-4-yl)methanol
CID 141007306
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-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The IUPAC name of 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid (CID 141007357) is 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The canonical SMILES for 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid is CC1OC2=C(O1)C(C(=O)O)C=C2.
What is the InChIKey of 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
The InChIKey is KYELKUVJPCVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-4-11-6-3-2-5(8(9)10)7(6)12-4/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid?
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid is sourced from PubChem (CID 141007357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).