1-oxaspiro[5.9]pentadecane-2,4-dione

C14H22O3 — CID 19912121

IUPAC1-oxaspiro[5.9]pentadecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCCCCCCCC2)C1
InChIInChI=1S/C14H22O3/c15-12-10-13(16)17-14(11-12)8-6-4-2-1-3-5-7-9-14/h1-11H2
InChIKeyATYVCZHHNCHJIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.16
Rot. Bonds

About 1-oxaspiro[5.9]pentadecane-2,4-dione

1-oxaspiro[5.9]pentadecane-2,4-dione (PubChem CID 19912121) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-oxaspiro[5.9]pentadecane-2,4-dione.

Molecular Properties

Compound Name1-oxaspiro[5.9]pentadecane-2,4-dione
PubChem CID19912121
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-oxaspiro[5.9]pentadecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCCCCCCCC2)C1
InChIInChI=1S/C14H22O3/c15-12-10-13(16)17-14(11-12)8-6-4-2-1-3-5-7-9-14/h1-11H2
InChIKeyATYVCZHHNCHJIH-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.9]pentadecane-2,4-dione?
The IUPAC name of 1-oxaspiro[5.9]pentadecane-2,4-dione (CID 19912121) is 1-oxaspiro[5.9]pentadecane-2,4-dione.
What is the SMILES notation for 1-oxaspiro[5.9]pentadecane-2,4-dione?
The canonical SMILES for 1-oxaspiro[5.9]pentadecane-2,4-dione is O=C1CC(=O)OC2(CCCCCCCCC2)C1.
What is the InChIKey of 1-oxaspiro[5.9]pentadecane-2,4-dione?
The InChIKey is ATYVCZHHNCHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-12-10-13(16)17-14(11-12)8-6-4-2-1-3-5-7-9-14/h1-11H2.
What are the key properties of 1-oxaspiro[5.9]pentadecane-2,4-dione?
1-oxaspiro[5.9]pentadecane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.9]pentadecane-2,4-dione is sourced from PubChem (CID 19912121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).