2,7-dioxaspiro[4.4]nonane-1,3-dione

C7H8O4 — CID 63332135

IUPAC2,7-dioxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCOC2)C(=O)O1
InChIInChI=1S/C7H8O4/c8-5-3-7(6(9)11-5)1-2-10-4-7/h1-4H2
InChIKeySVAOMOXYUFPORO-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.13
Rot. Bonds

About 2,7-dioxaspiro[4.4]nonane-1,3-dione

2,7-dioxaspiro[4.4]nonane-1,3-dione (PubChem CID 63332135) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2,7-dioxaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2,7-dioxaspiro[4.4]nonane-1,3-dione
PubChem CID63332135
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2,7-dioxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCOC2)C(=O)O1
InChIInChI=1S/C7H8O4/c8-5-3-7(6(9)11-5)1-2-10-4-7/h1-4H2
InChIKeySVAOMOXYUFPORO-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxaspiro[4.4]nonane-1,3-dione
CID 2737102
3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363
2,8-dioxaspiro[4.5]decan-4-one
CID 167727896
3-chloro-3-hydroxyoxolane-2,5-dione
CID 91503730
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
9-propan-2-yl-2-oxa-9-azaspiro[4.6]undecane-1,3-dione
CID 65075749
7-oxaspiro[3.5]nonan-2-one
CID 67451909
2-ethoxy-6-oxaspiro[3.4]octane-5,7-dione
CID 106823083
3,3-dichlorooxane-2,6-dione
CID 54338163
7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485

Frequently Asked Questions

What is the IUPAC name of 2,7-dioxaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2,7-dioxaspiro[4.4]nonane-1,3-dione (CID 63332135) is 2,7-dioxaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2,7-dioxaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2,7-dioxaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCOC2)C(=O)O1.
What is the InChIKey of 2,7-dioxaspiro[4.4]nonane-1,3-dione?
The InChIKey is SVAOMOXYUFPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-3-7(6(9)11-5)1-2-10-4-7/h1-4H2.
What are the key properties of 2,7-dioxaspiro[4.4]nonane-1,3-dione?
2,7-dioxaspiro[4.4]nonane-1,3-dione has a molecular weight of 156.14 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 63332135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).