10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione

C10H10O6 — CID 130222963

IUPAC10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESCC12C(=O)OC(=O)C1C1(C)C(=O)OC(O)C21
InChIInChI=1S/C10H10O6/c1-9-3(5(11)15-7(9)13)10(2)4(9)6(12)16-8(10)14/h3-5,11H,1-2H3
InChIKeyFNEOABCETAAWLT-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.80
Rot. Bonds

About 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione

10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione (PubChem CID 130222963) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione.

Molecular Properties

Compound Name10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
PubChem CID130222963
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESCC12C(=O)OC(=O)C1C1(C)C(=O)OC(O)C21
InChIInChI=1S/C10H10O6/c1-9-3(5(11)15-7(9)13)10(2)4(9)6(12)16-8(10)14/h3-5,11H,1-2H3
InChIKeyFNEOABCETAAWLT-UHFFFAOYSA-N
XLogP-0.80
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The IUPAC name of 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione (CID 130222963) is 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione.
What is the SMILES notation for 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The canonical SMILES for 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione is CC12C(=O)OC(=O)C1C1(C)C(=O)OC(O)C21.
What is the InChIKey of 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The InChIKey is FNEOABCETAAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-9-3(5(11)15-7(9)13)10(2)4(9)6(12)16-8(10)14/h3-5,11H,1-2H3.
What are the key properties of 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione?
10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione has a molecular weight of 226.18 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione is sourced from PubChem (CID 130222963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).