(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C9H8O4 — CID 176721372

IUPAC(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1OC(=O)[C@@H]2C3C=CC(C3O)C12
InChIInChI=1S/C9H8O4/c10-7-3-1-2-4(7)6-5(3)8(11)13-9(6)12/h1-7,10H/t3?,4?,5-,6?,7?/m1/s1
InChIKeyQDTXFJMDGQJMCS-BQHSNLCNSA-N
MW180.16 g/mol
LogP-0.52
Rot. Bonds

About (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 176721372) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID176721372
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1OC(=O)[C@@H]2C3C=CC(C3O)C12
InChIInChI=1S/C9H8O4/c10-7-3-1-2-4(7)6-5(3)8(11)13-9(6)12/h1-7,10H/t3?,4?,5-,6?,7?/m1/s1
InChIKeyQDTXFJMDGQJMCS-BQHSNLCNSA-N
XLogP-0.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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 (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[(Tetrahydro-2-furanylmethoxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2918844
(Z)-5-[(1S,3aS,6R,6aS)-6-hydroxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]pent-4-enoic acid
CID 11172501
Bacillariolide III
CID 12137321
(3aR,5R,6aR)-5-hydroxy-6-(2-hydroxyethylidene)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 163089143
(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[b]furan-2-one
CID 12895812
10,10-Diethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 420501
(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12895813
dimethyl (1R,2R,3R,4S)-7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 51020823
Corey PG-Lactone Diol
CID 12895810
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7,7-dimethoxy-
CID 556633
3-Hydroxy-1,2,2a,3,4,4a,6a,6b-octahydrocyclopenta[cd]pentalene-1,2-dicarboxylic acid
CID 577275
Umesgqharyuxhr-tumwxbprsa-
CID 23256434

Frequently Asked Questions

What is the IUPAC name of (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 176721372) is (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1OC(=O)[C@@H]2C3C=CC(C3O)C12.
What is the InChIKey of (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is QDTXFJMDGQJMCS-BQHSNLCNSA-N. The full InChI is InChI=1S/C9H8O4/c10-7-3-1-2-4(7)6-5(3)8(11)13-9(6)12/h1-7,10H/t3?,4?,5-,6?,7?/m1/s1.
What are the key properties of (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 180.16 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 176721372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).