(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione

C11H12O4 — CID 10910734

IUPAC(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione
SMILESO=C1OC(=O)[C@H]2CC=C3CCCO[C@H]3[C@@H]12
InChIInChI=1S/C11H12O4/c12-10-7-4-3-6-2-1-5-14-9(6)8(7)11(13)15-10/h3,7-9H,1-2,4-5H2/t7-,8-,9+/m0/s1
InChIKeyTUAFSPAHMXXVQY-XHNCKOQMSA-N
MW208.21 g/mol
LogP0.81
Rot. Bonds

About (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione

(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione (PubChem CID 10910734) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione.

Molecular Properties

Compound Name(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione
PubChem CID10910734
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione
SMILESO=C1OC(=O)[C@H]2CC=C3CCCO[C@H]3[C@@H]12
InChIInChI=1S/C11H12O4/c12-10-7-4-3-6-2-1-5-14-9(6)8(7)11(13)15-10/h3,7-9H,1-2,4-5H2/t7-,8-,9+/m0/s1
InChIKeyTUAFSPAHMXXVQY-XHNCKOQMSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione 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 (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione?
The IUPAC name of (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione (CID 10910734) is (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione.
What is the SMILES notation for (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione?
The canonical SMILES for (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione is O=C1OC(=O)[C@H]2CC=C3CCCO[C@H]3[C@@H]12.
What is the InChIKey of (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione?
The InChIKey is TUAFSPAHMXXVQY-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H12O4/c12-10-7-4-3-6-2-1-5-14-9(6)8(7)11(13)15-10/h3,7-9H,1-2,4-5H2/t7-,8-,9+/m0/s1.
What are the key properties of (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione?
(6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione has a molecular weight of 208.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,9aS,9bS)-3,4,6,6a,9a,9b-hexahydro-2H-furo[3,4-h]chromene-7,9-dione is sourced from PubChem (CID 10910734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).