1-oxaspiro[5.8]tetradecane-2,4-dione

C13H20O3 — CID 11481502

IUPAC1-oxaspiro[5.8]tetradecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCCCCCCC2)C1
InChIInChI=1S/C13H20O3/c14-11-9-12(15)16-13(10-11)7-5-3-1-2-4-6-8-13/h1-10H2
InChIKeyRVENRXDNXQGMNH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.77
Rot. Bonds

About 1-oxaspiro[5.8]tetradecane-2,4-dione

1-oxaspiro[5.8]tetradecane-2,4-dione (PubChem CID 11481502) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-oxaspiro[5.8]tetradecane-2,4-dione.

Molecular Properties

Compound Name1-oxaspiro[5.8]tetradecane-2,4-dione
PubChem CID11481502
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-oxaspiro[5.8]tetradecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCCCCCCC2)C1
InChIInChI=1S/C13H20O3/c14-11-9-12(15)16-13(10-11)7-5-3-1-2-4-6-8-13/h1-10H2
InChIKeyRVENRXDNXQGMNH-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.77
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

1-Oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
5-Methyl-5-decanolide
CID 23093369
(3S,4S)-3-dodecanoyl-4,6,6-trimethyloxan-2-one
CID 118593685
6-Heptyl-6-methyloxan-2-one
CID 10680063
1-Oxaspiro[5.11]heptadecane-2,4-dione
CID 11817987
1-Oxaspiro[5.5]undecane-2,4-dione
CID 12312322
9-Methyl-1-oxaspiro[5.5]undecane-2,4-dione
CID 15029255
1-Oxaspiro[5.7]tridecan-2-one
CID 15632345
3-Acetyl-1-oxaspiro[5.5]undecane-2,4-dione
CID 18638162
1-Oxaspiro[5.9]pentadecane-2,4-dione
CID 19912121
10-Methyl-1-oxaspiro[5.5]undecane-2,4-dione
CID 19912131
6-Oxaspiro[4.5]decane-7,9-dione
CID 19912136

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.8]tetradecane-2,4-dione?
The IUPAC name of 1-oxaspiro[5.8]tetradecane-2,4-dione (CID 11481502) is 1-oxaspiro[5.8]tetradecane-2,4-dione.
What is the SMILES notation for 1-oxaspiro[5.8]tetradecane-2,4-dione?
The canonical SMILES for 1-oxaspiro[5.8]tetradecane-2,4-dione is O=C1CC(=O)OC2(CCCCCCCC2)C1.
What is the InChIKey of 1-oxaspiro[5.8]tetradecane-2,4-dione?
The InChIKey is RVENRXDNXQGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-11-9-12(15)16-13(10-11)7-5-3-1-2-4-6-8-13/h1-10H2.
What are the key properties of 1-oxaspiro[5.8]tetradecane-2,4-dione?
1-oxaspiro[5.8]tetradecane-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.8]tetradecane-2,4-dione is sourced from PubChem (CID 11481502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).