2-oxaspiro[4.4]nonane-1,3-dione

C8H10O3 — CID 2737102

IUPAC2-oxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)O1
InChIInChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKeyHOKKSYPZFBKQAZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds

About 2-oxaspiro[4.4]nonane-1,3-dione

2-oxaspiro[4.4]nonane-1,3-dione (PubChem CID 2737102) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-oxaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-oxaspiro[4.4]nonane-1,3-dione
PubChem CID2737102
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-oxaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)O1
InChIInChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKeyHOKKSYPZFBKQAZ-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
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

9-propan-2-yl-2-oxa-9-azaspiro[4.6]undecane-1,3-dione
CID 65075749
2,7-dioxaspiro[4.4]nonane-1,3-dione
CID 63332135
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
(1S,6S)-3-oxatricyclo[4.4.4.01,6]tetradec-8-ene-2,4-dione
CID 98164295
2-ethoxy-6-oxaspiro[3.4]octane-5,7-dione
CID 106823083
11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
CID 141130807
3-chloro-3-hydroxyoxolane-2,5-dione
CID 91503730
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 43134859
3a,7a-dibromo-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
CID 101317594
(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
CID 88796151
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
7-ethenylidene-8-oxaspiro[4.5]decan-9-one
CID 143819117

Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-oxaspiro[4.4]nonane-1,3-dione (CID 2737102) is 2-oxaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-oxaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-oxaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)O1.
What is the InChIKey of 2-oxaspiro[4.4]nonane-1,3-dione?
The InChIKey is HOKKSYPZFBKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2.
What are the key properties of 2-oxaspiro[4.4]nonane-1,3-dione?
2-oxaspiro[4.4]nonane-1,3-dione has a molecular weight of 154.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 2737102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).