6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione

C11H16O3 — CID 43134859

IUPAC6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
SMILESCC1CCCC(C)C12CC(=O)OC2=O
InChIInChI=1S/C11H16O3/c1-7-4-3-5-8(2)11(7)6-9(12)14-10(11)13/h7-8H,3-6H2,1-2H3
InChIKeyQMUOVTVMHXLWLE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.90
Rot. Bonds

About 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione

6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione (PubChem CID 43134859) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
PubChem CID43134859
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
SMILESCC1CCCC(C)C12CC(=O)OC2=O
InChIInChI=1S/C11H16O3/c1-7-4-3-5-8(2)11(7)6-9(12)14-10(11)13/h7-8H,3-6H2,1-2H3
InChIKeyQMUOVTVMHXLWLE-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
3-cyclohexyl-3-hydroxyoxolane-2,5-dione
CID 156904960
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one
CID 10898883
2-oxaspiro[4.4]nonane-1,3-dione
CID 2737102
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 21344443
(4aR,8S,8aR)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-isochromen-3-one
CID 162402473
4a,5-dimethyl-6,7,8,8a-tetrahydro-5H-benzo[d][1,3]dioxin-4-one
CID 573565
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
9-butyl-2-oxaspiro[4.4]nonane-1,3-dione
CID 121016385

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione?
The IUPAC name of 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione (CID 43134859) is 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione is CC1CCCC(C)C12CC(=O)OC2=O.
What is the InChIKey of 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione?
The InChIKey is QMUOVTVMHXLWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-4-3-5-8(2)11(7)6-9(12)14-10(11)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione?
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione has a molecular weight of 196.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43134859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).