2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid

C10H10O7 — CID 141365879

IUPAC2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid
SMILESCCCC1Oc2c(C(=O)O)oc(C(=O)O)c2O1
InChIInChI=1S/C10H10O7/c1-2-3-4-15-5-6(16-4)8(10(13)14)17-7(5)9(11)12/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyWQSZFCSPWWHMSZ-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.57
Rot. Bonds4

About 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid

2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid (PubChem CID 141365879) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid.

Molecular Properties

Compound Name2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid
PubChem CID141365879
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid
SMILESCCCC1Oc2c(C(=O)O)oc(C(=O)O)c2O1
InChIInChI=1S/C10H10O7/c1-2-3-4-15-5-6(16-4)8(10(13)14)17-7(5)9(11)12/h4H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyWQSZFCSPWWHMSZ-UHFFFAOYSA-N
XLogP1.57
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid?
The IUPAC name of 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid (CID 141365879) is 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid.
What is the SMILES notation for 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid?
The canonical SMILES for 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid is CCCC1Oc2c(C(=O)O)oc(C(=O)O)c2O1.
What is the InChIKey of 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid?
The InChIKey is WQSZFCSPWWHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c1-2-3-4-15-5-6(16-4)8(10(13)14)17-7(5)9(11)12/h4H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid?
2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid has a molecular weight of 242.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylfuro[3,4-d][1,3]dioxole-4,6-dicarboxylic acid is sourced from PubChem (CID 141365879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).