1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione

C12H16O3 — CID 10750868

IUPAC1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
SMILESCC1CC12C(=O)OC1(CCCCC1)C2=O
InChIInChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3
InChIKeyOEGLMLCRAUAAMF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds

About 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione

1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione (PubChem CID 10750868) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione.

Molecular Properties

Compound Name1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
PubChem CID10750868
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
SMILESCC1CC12C(=O)OC1(CCCCC1)C2=O
InChIInChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3
InChIKeyOEGLMLCRAUAAMF-UHFFFAOYSA-N
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
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

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CID 156582710
Salinilactone C
CID 139591555
Salinilactone H
CID 156582711
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1-Oxaspiro(4.5)decane-2,4-dione
CID 566677
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CID 101374940
tert-butyl (2R)-2-methyl-6-oxo-2-propan-2-ylcyclohexane-1-carboxylate
CID 101374942
3-Acetyl-5-(2,2-dimethylpropyl)-5-methyloxolan-2-one
CID 135037839
3-Acetyl-1-oxaspiro[4.5]decane-2,4-dione
CID 567183
1-Methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione
CID 10704260
1-(4-Methylpentanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 162814633
3-(4-Tert-butylcyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11163066

Frequently Asked Questions

What is the IUPAC name of 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The IUPAC name of 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione (CID 10750868) is 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione.
What is the SMILES notation for 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The canonical SMILES for 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione is CC1CC12C(=O)OC1(CCCCC1)C2=O.
What is the InChIKey of 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
The InChIKey is OEGLMLCRAUAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-7-12(8)9(13)11(15-10(12)14)5-3-2-4-6-11/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione?
1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione has a molecular weight of 208.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione is sourced from PubChem (CID 10750868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).