9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione

C10H8O4 — CID 18545131

IUPAC9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione
SMILESCOC1=CCC(=O)C12C(=O)C=CC2=O
InChIInChI=1S/C10H8O4/c1-14-9-5-4-8(13)10(9)6(11)2-3-7(10)12/h2-3,5H,4H2,1H3
InChIKeyCXZDCGXORFZMMK-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds1

About 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione

9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione (PubChem CID 18545131) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione.

Molecular Properties

Compound Name9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione
PubChem CID18545131
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione
SMILESCOC1=CCC(=O)C12C(=O)C=CC2=O
InChIInChI=1S/C10H8O4/c1-14-9-5-4-8(13)10(9)6(11)2-3-7(10)12/h2-3,5H,4H2,1H3
InChIKeyCXZDCGXORFZMMK-UHFFFAOYSA-N
XLogP0.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione?
The IUPAC name of 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione (CID 18545131) is 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione.
What is the SMILES notation for 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione?
The canonical SMILES for 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione is COC1=CCC(=O)C12C(=O)C=CC2=O.
What is the InChIKey of 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione?
The InChIKey is CXZDCGXORFZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-14-9-5-4-8(13)10(9)6(11)2-3-7(10)12/h2-3,5H,4H2,1H3.
What are the key properties of 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione?
9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione has a molecular weight of 192.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxyspiro[4.4]nona-2,8-diene-1,4,6-trione is sourced from PubChem (CID 18545131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).