2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione

C10H12O3 — CID 24977518

IUPAC2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
SMILESCC1=CC(=O)C2(CCCCC2=O)O1
InChIInChI=1S/C10H12O3/c1-7-6-9(12)10(13-7)5-3-2-4-8(10)11/h6H,2-5H2,1H3
InChIKeyPITBOZINMLIDOB-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds

About 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione

2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione (PubChem CID 24977518) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione.

Molecular Properties

Compound Name2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
PubChem CID24977518
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione
SMILESCC1=CC(=O)C2(CCCCC2=O)O1
InChIInChI=1S/C10H12O3/c1-7-6-9(12)10(13-7)5-3-2-4-8(10)11/h6H,2-5H2,1H3
InChIKeyPITBOZINMLIDOB-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.37
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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Related Compounds

2-(Trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 616174
2-Methyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 12671964
2,5-Dimethyl-2-(3-oxobutyl)furan-3-one
CID 15273947
2,5-Dimethyl-2-pent-4-enylfuran-3-one
CID 85974375
2-Cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420342
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
2-Hex-5-enyl-2,5-dimethylfuran-3-one
CID 145994768
2-(5-Iodopentyl)-2,5-dimethylfuran-3-one
CID 145998046
2-(Trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 15311287
2-Cyclohexyl-5-methylfuran-3-one
CID 4447644
7-Methyl-6-oxaspiro[4.5]dec-7-en-10-one
CID 143146991
2-Butyl-2,5-dimethylfuran-3-one
CID 12416267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione?
The IUPAC name of 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione (CID 24977518) is 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione.
What is the SMILES notation for 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione?
The canonical SMILES for 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione is CC1=CC(=O)C2(CCCCC2=O)O1.
What is the InChIKey of 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione?
The InChIKey is PITBOZINMLIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-6-9(12)10(13-7)5-3-2-4-8(10)11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione?
2-methyl-1-oxaspiro[4.5]dec-2-ene-4,6-dione has a molecular weight of 180.20 g/mol, XLogP of 1.37, 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[4.5]dec-2-ene-4,6-dione is sourced from PubChem (CID 24977518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).