3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid

C6H8O5 — CID 87767546

IUPAC3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid
SMILESO=C(O)C1OOC2OCCC21
InChIInChI=1S/C6H8O5/c7-5(8)4-3-1-2-9-6(3)11-10-4/h3-4,6H,1-2H2,(H,7,8)
InChIKeySWJFDKWPWIQFMN-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.24
Rot. Bonds1

About 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid

3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid (PubChem CID 87767546) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid.

Molecular Properties

Compound Name3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid
PubChem CID87767546
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid
SMILESO=C(O)C1OOC2OCCC21
InChIInChI=1S/C6H8O5/c7-5(8)4-3-1-2-9-6(3)11-10-4/h3-4,6H,1-2H2,(H,7,8)
InChIKeySWJFDKWPWIQFMN-UHFFFAOYSA-N
XLogP-0.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid?
The IUPAC name of 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid (CID 87767546) is 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid.
What is the SMILES notation for 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid?
The canonical SMILES for 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid is O=C(O)C1OOC2OCCC21.
What is the InChIKey of 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid?
The InChIKey is SWJFDKWPWIQFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c7-5(8)4-3-1-2-9-6(3)11-10-4/h3-4,6H,1-2H2,(H,7,8).
What are the key properties of 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid?
3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid is sourced from PubChem (CID 87767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).