1-oxaspiro[4.5]decane-2,8-dione

C9H12O3 — CID 130032102

IUPAC1-oxaspiro[4.5]decane-2,8-dione
SMILESO=C1CCC2(CC1)CCC(=O)O2
InChIInChI=1S/C9H12O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-6H2
InChIKeyJXUKKXCZHNIELU-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.21
Rot. Bonds

About 1-oxaspiro[4.5]decane-2,8-dione

1-oxaspiro[4.5]decane-2,8-dione (PubChem CID 130032102) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decane-2,8-dione.

Molecular Properties

Compound Name1-oxaspiro[4.5]decane-2,8-dione
PubChem CID130032102
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-oxaspiro[4.5]decane-2,8-dione
SMILESO=C1CCC2(CC1)CCC(=O)O2
InChIInChI=1S/C9H12O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-6H2
InChIKeyJXUKKXCZHNIELU-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydrojasmone lactone
CID 285097
4,4-DIBUTYL-gamma-BUTYROLACTONE
CID 10608036
1-Oxaspiro[4.5]decan-2-one
CID 12783
2(3H)-Furanone, 5-butyldihydro-5-methyl-
CID 98474
1-Oxaspiro(4.5)decan-2-one, 8-methyl-
CID 175596
5-Butyl-5-ethyldihydrofuran-2(3H)-one
CID 109209
1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, cis-
CID 18598146
1-Oxaspiro(4.4)nonan-2-one
CID 11007989
2-Oxaspiro(4.5)decane-1,3-dione
CID 2737101
Dihydro-5-methyl-5-pentylfuran-2(3H)-one
CID 103702
5-Methyl-5-propyloxolan-2-one
CID 12322358
1-Oxaspiro[4.5]decan-8-one
CID 13298428

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decane-2,8-dione?
The IUPAC name of 1-oxaspiro[4.5]decane-2,8-dione (CID 130032102) is 1-oxaspiro[4.5]decane-2,8-dione.
What is the SMILES notation for 1-oxaspiro[4.5]decane-2,8-dione?
The canonical SMILES for 1-oxaspiro[4.5]decane-2,8-dione is O=C1CCC2(CC1)CCC(=O)O2.
What is the InChIKey of 1-oxaspiro[4.5]decane-2,8-dione?
The InChIKey is JXUKKXCZHNIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-6H2.
What are the key properties of 1-oxaspiro[4.5]decane-2,8-dione?
1-oxaspiro[4.5]decane-2,8-dione has a molecular weight of 168.19 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decane-2,8-dione is sourced from PubChem (CID 130032102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).