14-oxadispiro[5.0.57.36]pentadecane-13,15-dione

C14H20O3 — CID 596236

IUPAC14-oxadispiro[5.0.57.36]pentadecane-13,15-dione
SMILESO=C1OC(=O)C2(CCCCC2)C12CCCCC2
InChIInChI=1S/C14H20O3/c15-11-13(7-3-1-4-8-13)14(12(16)17-11)9-5-2-6-10-14/h1-10H2
InChIKeyXRZPFVPADZZUIJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds

About 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione

14-oxadispiro[5.0.57.36]pentadecane-13,15-dione (PubChem CID 596236) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione.

Molecular Properties

Compound Name14-oxadispiro[5.0.57.36]pentadecane-13,15-dione
PubChem CID596236
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name14-oxadispiro[5.0.57.36]pentadecane-13,15-dione
SMILESO=C1OC(=O)C2(CCCCC2)C12CCCCC2
InChIInChI=1S/C14H20O3/c15-11-13(7-3-1-4-8-13)14(12(16)17-11)9-5-2-6-10-14/h1-10H2
InChIKeyXRZPFVPADZZUIJ-UHFFFAOYSA-N
XLogP2.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
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 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione?
The IUPAC name of 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione (CID 596236) is 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione.
What is the SMILES notation for 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione?
The canonical SMILES for 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione is O=C1OC(=O)C2(CCCCC2)C12CCCCC2.
What is the InChIKey of 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione?
The InChIKey is XRZPFVPADZZUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-11-13(7-3-1-4-8-13)14(12(16)17-11)9-5-2-6-10-14/h1-10H2.
What are the key properties of 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione?
14-oxadispiro[5.0.57.36]pentadecane-13,15-dione has a molecular weight of 236.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxadispiro[5.0.57.36]pentadecane-13,15-dione is sourced from PubChem (CID 596236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).