17-oxabicyclo[14.1.0]heptadecane-5,9-dione

C16H26O3 — CID 57045117

IUPAC17-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2OC2CCCC(=O)CCC1
InChIInChI=1S/C16H26O3/c17-13-7-3-1-2-4-11-15-16(19-15)12-6-10-14(18)9-5-8-13/h15-16H,1-12H2
InChIKeySCZQBNVTPQPJDR-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.59
Rot. Bonds

About 17-oxabicyclo[14.1.0]heptadecane-5,9-dione

17-oxabicyclo[14.1.0]heptadecane-5,9-dione (PubChem CID 57045117) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 17-oxabicyclo[14.1.0]heptadecane-5,9-dione.

Molecular Properties

Compound Name17-oxabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID57045117
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name17-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2OC2CCCC(=O)CCC1
InChIInChI=1S/C16H26O3/c17-13-7-3-1-2-4-11-15-16(19-15)12-6-10-14(18)9-5-8-13/h15-16H,1-12H2
InChIKeySCZQBNVTPQPJDR-UHFFFAOYSA-N
XLogP3.59
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 17-oxabicyclo[14.1.0]heptadecane-5,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The IUPAC name of 17-oxabicyclo[14.1.0]heptadecane-5,9-dione (CID 57045117) is 17-oxabicyclo[14.1.0]heptadecane-5,9-dione.
What is the SMILES notation for 17-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The canonical SMILES for 17-oxabicyclo[14.1.0]heptadecane-5,9-dione is O=C1CCCCCCC2OC2CCCC(=O)CCC1.
What is the InChIKey of 17-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The InChIKey is SCZQBNVTPQPJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-13-7-3-1-2-4-11-15-16(19-15)12-6-10-14(18)9-5-8-13/h15-16H,1-12H2.
What are the key properties of 17-oxabicyclo[14.1.0]heptadecane-5,9-dione?
17-oxabicyclo[14.1.0]heptadecane-5,9-dione has a molecular weight of 266.38 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxabicyclo[14.1.0]heptadecane-5,9-dione is sourced from PubChem (CID 57045117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).