6,8-dioxaspiro[3.5]nonane-5,9-dione

C7H8O4 — CID 152952236

IUPAC6,8-dioxaspiro[3.5]nonane-5,9-dione
SMILESO=C1OCOC(=O)C12CCC2
InChIInChI=1S/C7H8O4/c8-5-7(2-1-3-7)6(9)11-4-10-5/h1-4H2
InChIKeyUOXUZQILUGSYEM-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.21
Rot. Bonds

About 6,8-dioxaspiro[3.5]nonane-5,9-dione

6,8-dioxaspiro[3.5]nonane-5,9-dione (PubChem CID 152952236) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 6,8-dioxaspiro[3.5]nonane-5,9-dione.

Molecular Properties

Compound Name6,8-dioxaspiro[3.5]nonane-5,9-dione
PubChem CID152952236
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name6,8-dioxaspiro[3.5]nonane-5,9-dione
SMILESO=C1OCOC(=O)C12CCC2
InChIInChI=1S/C7H8O4/c8-5-7(2-1-3-7)6(9)11-4-10-5/h1-4H2
InChIKeyUOXUZQILUGSYEM-UHFFFAOYSA-N
XLogP0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,8-dioxaspiro[3.5]nonane-5,9-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

7,9,17,18-tetraoxa-8-boranuidatrispiro[4.2.2.411.28.25]nonadecane-6,10,16,19-tetrone
CID 145196186
5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
CID 175887369
1,3-dioxetan-2-one
CID 10964397
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
3a,7a-dibromo-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
CID 101317594
5,5-diethyl-1,3-dioxocane-4,8-dione
CID 54503867
furo[3,4-d][1,3]dioxole-4,6-dione
CID 122223194
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-en-7-one
CID 10773668
5-cyclohexyl-5-ethyl-1,3-dioxane-4,6-dione
CID 118947222
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxaspiro[3.5]nonane-5,9-dione?
The IUPAC name of 6,8-dioxaspiro[3.5]nonane-5,9-dione (CID 152952236) is 6,8-dioxaspiro[3.5]nonane-5,9-dione.
What is the SMILES notation for 6,8-dioxaspiro[3.5]nonane-5,9-dione?
The canonical SMILES for 6,8-dioxaspiro[3.5]nonane-5,9-dione is O=C1OCOC(=O)C12CCC2.
What is the InChIKey of 6,8-dioxaspiro[3.5]nonane-5,9-dione?
The InChIKey is UOXUZQILUGSYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-7(2-1-3-7)6(9)11-4-10-5/h1-4H2.
What are the key properties of 6,8-dioxaspiro[3.5]nonane-5,9-dione?
6,8-dioxaspiro[3.5]nonane-5,9-dione has a molecular weight of 156.14 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxaspiro[3.5]nonane-5,9-dione is sourced from PubChem (CID 152952236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).