9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione

C11H14O3 — CID 10921403

IUPAC9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione
SMILESCC1=CC(=O)C2(CCCOC2=O)CC1
InChIInChI=1S/C11H14O3/c1-8-3-5-11(9(12)7-8)4-2-6-14-10(11)13/h7H,2-6H2,1H3
InChIKeySCZQAVKAULQRNG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds

About 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione

9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione (PubChem CID 10921403) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione.

Molecular Properties

Compound Name9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione
PubChem CID10921403
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione
SMILESCC1=CC(=O)C2(CCCOC2=O)CC1
InChIInChI=1S/C11H14O3/c1-8-3-5-11(9(12)7-8)4-2-6-14-10(11)13/h7H,2-6H2,1H3
InChIKeySCZQAVKAULQRNG-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione?
The IUPAC name of 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione (CID 10921403) is 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione.
What is the SMILES notation for 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione?
The canonical SMILES for 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione is CC1=CC(=O)C2(CCCOC2=O)CC1.
What is the InChIKey of 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione?
The InChIKey is SCZQAVKAULQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-5-11(9(12)7-8)4-2-6-14-10(11)13/h7H,2-6H2,1H3.
What are the key properties of 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione?
9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione has a molecular weight of 194.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione is sourced from PubChem (CID 10921403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).