8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione

C9H10O3 — CID 86054341

IUPAC8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
SMILESCC1=CCC2(C1)C(=O)COC2=O
InChIInChI=1S/C9H10O3/c1-6-2-3-9(4-6)7(10)5-12-8(9)11/h2H,3-5H2,1H3
InChIKeyGRFBVHLCFSXQEV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds

About 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione

8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione (PubChem CID 86054341) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione.

Molecular Properties

Compound Name8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
PubChem CID86054341
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
SMILESCC1=CCC2(C1)C(=O)COC2=O
InChIInChI=1S/C9H10O3/c1-6-2-3-9(4-6)7(10)5-12-8(9)11/h2H,3-5H2,1H3
InChIKeyGRFBVHLCFSXQEV-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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

2-Oxaspiro[4.4]non-7-ene-1,4-dione
CID 71406792
3-[(2Z)-3,4-dimethylpenta-2,4-dienyl]-3-prop-2-enyloxolane-2,4-dione
CID 134830868
3-[(2Z)-2,3-dimethylpenta-2,4-dienyl]-3-prop-2-enyloxolane-2,4-dione
CID 134856786
3-Acetyl-3-but-3-enyloxolan-2-one
CID 14491865
8-Methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione
CID 134853203
(5S)-7,8-dimethyl-2-oxaspiro[4.4]non-7-ene-1,9-dione
CID 134964949
4-Hexenoic acid, 2-acetyl-2,4-dimethyl-, ethyl ester, (E)-
CID 5363088
7-Methyl-4-methylidene-2-oxaspiro[4.4]non-7-ene-1,9-dione
CID 10725999
3-(2-Methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione
CID 86054335
Ethyl 1-acetyl-3-methylcyclopent-3-ene-1-carboxylate
CID 13476818
Ethyl 2-(2,2-dimethylpropanoyl)-2,5-dimethylhex-4-enoate
CID 59350097
ethyl (2R)-2-(2,2-dimethylpropanoyl)-2,5-dimethylhex-4-enoate
CID 87388198

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The IUPAC name of 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione (CID 86054341) is 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione.
What is the SMILES notation for 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The canonical SMILES for 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione is CC1=CCC2(C1)C(=O)COC2=O.
What is the InChIKey of 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione?
The InChIKey is GRFBVHLCFSXQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-2-3-9(4-6)7(10)5-12-8(9)11/h2H,3-5H2,1H3.
What are the key properties of 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione?
8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione has a molecular weight of 166.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione is sourced from PubChem (CID 86054341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).