(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium

C8H5O6+ — CID 59927400

IUPAC(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium
SMILES[H]/[O+]=C1\OC(=O)C2C3C(=O)OC(=O)C3C12
InChIInChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H/p+1
InChIKeyYGYCECQIOXZODZ-UHFFFAOYSA-O
MW197.12 g/mol
LogP-1.39
Rot. Bonds

About (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium

(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium (PubChem CID 59927400) has the molecular formula C8H5O6+ and a molecular weight of 197.12 g/mol. Its IUPAC name is (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium.

Molecular Properties

Compound Name(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium
PubChem CID59927400
Molecular FormulaC8H5O6+
Molecular Weight197.12 g/mol
Exact Mass197.01
IUPAC Name(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium
SMILES[H]/[O+]=C1\OC(=O)C2C3C(=O)OC(=O)C3C12
InChIInChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H/p+1
InChIKeyYGYCECQIOXZODZ-UHFFFAOYSA-O
XLogP-1.39
TPSA91.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium?
The IUPAC name of (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium (CID 59927400) is (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium.
What is the SMILES notation for (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium?
The canonical SMILES for (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium is [H]/[O+]=C1\OC(=O)C2C3C(=O)OC(=O)C3C12.
What is the InChIKey of (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium?
The InChIKey is YGYCECQIOXZODZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H/p+1.
What are the key properties of (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium?
(5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium has a molecular weight of 197.12 g/mol, XLogP of -1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8,10-trioxo-4,9-dioxatricyclo[5.3.0.02,6]decan-3-ylidene)oxidanium is sourced from PubChem (CID 59927400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).