(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C10H10O5 — CID 177409278

IUPAC(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1[C@H]2C(O)=C(O)[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C10H10O5/c1-2-3-5-6(10(14)15-9(5)13)4(2)8(12)7(3)11/h2-6,11-12H,1H3/t2?,3-,4+,5-,6+
InChIKeyCHDLUDQQVMUPKZ-ZMIWAGRTSA-N
MW210.18 g/mol
LogP0.53
Rot. Bonds

About (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 177409278) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID177409278
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1[C@H]2C(O)=C(O)[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C10H10O5/c1-2-3-5-6(10(14)15-9(5)13)4(2)8(12)7(3)11/h2-6,11-12H,1H3/t2?,3-,4+,5-,6+
InChIKeyCHDLUDQQVMUPKZ-ZMIWAGRTSA-N
XLogP0.53
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 177409278) is (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC1[C@H]2C(O)=C(O)[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12.
What is the InChIKey of (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is CHDLUDQQVMUPKZ-ZMIWAGRTSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-3-5-6(10(14)15-9(5)13)4(2)8(12)7(3)11/h2-6,11-12H,1H3/t2?,3-,4+,5-,6+.
What are the key properties of (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 210.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-8,9-dihydroxy-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 177409278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).