5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid

C9H8O5 — CID 141126708

IUPAC5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid
SMILESCC1(c2cc(C(=O)O)co2)OC=CO1
InChIInChI=1S/C9H8O5/c1-9(13-2-3-14-9)7-4-6(5-12-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKeyFYEWLTCROZDILC-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.67
Rot. Bonds2

About 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid

5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid (PubChem CID 141126708) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid
PubChem CID141126708
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid
SMILESCC1(c2cc(C(=O)O)co2)OC=CO1
InChIInChI=1S/C9H8O5/c1-9(13-2-3-14-9)7-4-6(5-12-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKeyFYEWLTCROZDILC-UHFFFAOYSA-N
XLogP1.67
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid (CID 141126708) is 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid is CC1(c2cc(C(=O)O)co2)OC=CO1.
What is the InChIKey of 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid?
The InChIKey is FYEWLTCROZDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c1-9(13-2-3-14-9)7-4-6(5-12-7)8(10)11/h2-5H,1H3,(H,10,11).
What are the key properties of 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid?
5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-dioxol-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 141126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).