8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione

C10H12O3 — CID 5252390

IUPAC8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
SMILESCC1=CC(=O)C2(CCOC2=O)CC1
InChIInChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3
InChIKeyPQQGGNWFHARIPV-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.23
Rot. Bonds

About 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione

8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione (PubChem CID 5252390) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione.

Molecular Properties

Compound Name8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
PubChem CID5252390
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
SMILESCC1=CC(=O)C2(CCOC2=O)CC1
InChIInChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3
InChIKeyPQQGGNWFHARIPV-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

(5R)-5-methyl-5-(4-methyl-2-oxopent-3-enyl)oxolan-2-one
CID 66552933
Pinnatolide
CID 14830725
1,3-Dimethyl-2-oxocyclohex-3-enecarboxylic acid, methyl ester
CID 557505
Methyl 4,6,6-trimethyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12576899
3-Cyclohexene-1-carboxylic acid, 1-acetyl-4,6-dimethyl-, ethyl ester
CID 106763
9-Methyl-2-oxaspiro[5.5]undec-9-ene-1,11-dione
CID 10921403
Ethyl 4-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12523924
Ethyl 1-acetyl-3,4-dimethylcyclopent-2-ene-1-carboxylate
CID 12530283
Ethyl 1,4-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12634562
(1,3-Dimethyl-2-oxocyclohex-3-en-1-yl)methyl acetate
CID 14015465
(1,3-Dimethyl-2,5-dioxocyclohex-3-en-1-yl)methyl acetate
CID 14015468
Methyl 1,3-dimethyl-2,5-dioxocyclohex-3-ene-1-carboxylate
CID 14482966

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The IUPAC name of 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione (CID 5252390) is 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione.
What is the SMILES notation for 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The canonical SMILES for 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione is CC1=CC(=O)C2(CCOC2=O)CC1.
What is the InChIKey of 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
The InChIKey is PQQGGNWFHARIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3.
What are the key properties of 8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione?
8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione has a molecular weight of 180.20 g/mol, XLogP of 1.23, 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[4.5]dec-7-ene-1,6-dione is sourced from PubChem (CID 5252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).