2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione

C9H10O3 — CID 143091909

IUPAC2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione
SMILESCC1OC2(C=CCCC2=O)C1=O
InChIInChI=1S/C9H10O3/c1-6-8(11)9(12-6)5-3-2-4-7(9)10/h3,5-6H,2,4H2,1H3
InChIKeyMMZBGZNDFAAUNV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.63
Rot. Bonds

About 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione

2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione (PubChem CID 143091909) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione.

Molecular Properties

Compound Name2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione
PubChem CID143091909
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione
SMILESCC1OC2(C=CCCC2=O)C1=O
InChIInChI=1S/C9H10O3/c1-6-8(11)9(12-6)5-3-2-4-7(9)10/h3,5-6H,2,4H2,1H3
InChIKeyMMZBGZNDFAAUNV-UHFFFAOYSA-N
XLogP0.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione
CID 143091913
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)hexan-1-one
CID 154344865
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 11240590
1-Oxaspiro[4.5]dec-6-en-4-one
CID 24972362
3-Methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 45082985
1-(1-Methoxy-2,3-dimethylcyclohexa-2,5-dien-1-yl)hexan-1-one
CID 175286048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione?
The IUPAC name of 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione (CID 143091909) is 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione.
What is the SMILES notation for 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione?
The canonical SMILES for 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione is CC1OC2(C=CCCC2=O)C1=O.
What is the InChIKey of 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione?
The InChIKey is MMZBGZNDFAAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-8(11)9(12-6)5-3-2-4-7(9)10/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione?
2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione has a molecular weight of 166.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione is sourced from PubChem (CID 143091909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).