1-oxaspiro[4.4]nonane-2,8-dione

C8H10O3 — CID 68731112

IUPAC1-oxaspiro[4.4]nonane-2,8-dione
SMILESO=C1CCC2(CCC(=O)O2)C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2
InChIKeyAZCXGYSFQALJOA-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.82
Rot. Bonds

About 1-oxaspiro[4.4]nonane-2,8-dione

1-oxaspiro[4.4]nonane-2,8-dione (PubChem CID 68731112) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonane-2,8-dione
PubChem CID68731112
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-oxaspiro[4.4]nonane-2,8-dione
SMILESO=C1CCC2(CCC(=O)O2)C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2
InChIKeyAZCXGYSFQALJOA-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
8-prop-2-enyl-1-oxaspiro[4.5]decan-2-one
CID 70503057
(3S)-1,7-dioxa-2-thiaspiro[2.4]heptan-6-one
CID 176528836
(1S,3R,6R)-7,7-dimethylspiro[bicyclo[4.1.0]heptane-3,5'-oxolane]-2'-one
CID 101200321
5-iodo-5-methyloxolan-2-one
CID 129281770
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 89419588
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
5,5-bis(methylamino)oxolan-2-one
CID 55287730
5,5-bis(sulfanylmethyl)oxolan-2-one
CID 139621524
9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
CID 103439796
2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
CID 139914308

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonane-2,8-dione?
The IUPAC name of 1-oxaspiro[4.4]nonane-2,8-dione (CID 68731112) is 1-oxaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for 1-oxaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for 1-oxaspiro[4.4]nonane-2,8-dione is O=C1CCC2(CCC(=O)O2)C1.
What is the InChIKey of 1-oxaspiro[4.4]nonane-2,8-dione?
The InChIKey is AZCXGYSFQALJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-1-3-8(5-6)4-2-7(10)11-8/h1-5H2.
What are the key properties of 1-oxaspiro[4.4]nonane-2,8-dione?
1-oxaspiro[4.4]nonane-2,8-dione has a molecular weight of 154.16 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 68731112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).