1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione

C13H18O3 — CID 10704260

IUPAC1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione
SMILESCC1CC12C(=O)OC1(CCCCCC1)C2=O
InChIInChI=1S/C13H18O3/c1-9-8-13(9)10(14)12(16-11(13)15)6-4-2-3-5-7-12/h9H,2-8H2,1H3
InChIKeyOSKHKLRSEQZNQN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.23
Rot. Bonds

About 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione

1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione (PubChem CID 10704260) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione.

Molecular Properties

Compound Name1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione
PubChem CID10704260
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione
SMILESCC1CC12C(=O)OC1(CCCCCC1)C2=O
InChIInChI=1S/C13H18O3/c1-9-8-13(9)10(14)12(16-11(13)15)6-4-2-3-5-7-12/h9H,2-8H2,1H3
InChIKeyOSKHKLRSEQZNQN-UHFFFAOYSA-N
XLogP2.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.23
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

2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-
CID 537417
3-Acetyl-5-(2,2-dimethylpropyl)-5-methyloxolan-2-one
CID 135037839
1-Methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 10750868
5-(2-Methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
CID 11334997
3-Octan-3-yloxolane-2,4-dione
CID 70105394
3,5-Dibutyl-3,5-dimethyloxolane-2,4-dione
CID 154202826
[4-(2,4-Dimethyl-5-oxooxolan-2-yl)-2-methyl-3-oxobutan-2-yl] 2,2-dimethylbutanoate
CID 160284337
Tert-butyl 2-(2-cyclopropylacetyl)-3,3-dimethylbutanoate
CID 176921623
3-Cyclohexyl-3-methyloxolane-2,4-dione
CID 14202224
Tert-butyl 2-oxobicyclo[4.1.0]heptane-1-carboxylate
CID 16107702
4-Cyclopropanecarbonyl-2,2,5,5-tetramethyloxolan-3-one
CID 79915659
4-Hexanoyl-2,2,5,5-tetramethyloxolan-3-one
CID 79917434

Frequently Asked Questions

What is the IUPAC name of 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione?
The IUPAC name of 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione (CID 10704260) is 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione.
What is the SMILES notation for 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione?
The canonical SMILES for 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione is CC1CC12C(=O)OC1(CCCCCC1)C2=O.
What is the InChIKey of 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione?
The InChIKey is OSKHKLRSEQZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-8-13(9)10(14)12(16-11(13)15)6-4-2-3-5-7-12/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione?
1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione has a molecular weight of 222.28 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione is sourced from PubChem (CID 10704260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).