oxacyclohexadecane-3,11-dione

C15H26O3 — CID 175181969

IUPACoxacyclohexadecane-3,11-dione
SMILESO=C1CCCCCCCC(=O)COCCCCC1
InChIInChI=1S/C15H26O3/c16-14-9-5-2-1-3-6-11-15(17)13-18-12-8-4-7-10-14/h1-13H2
InChIKeyYCTZNLNFZMZJMK-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.45
Rot. Bonds

About oxacyclohexadecane-3,11-dione

oxacyclohexadecane-3,11-dione (PubChem CID 175181969) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is oxacyclohexadecane-3,11-dione.

Molecular Properties

Compound Nameoxacyclohexadecane-3,11-dione
PubChem CID175181969
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameoxacyclohexadecane-3,11-dione
SMILESO=C1CCCCCCCC(=O)COCCCCC1
InChIInChI=1S/C15H26O3/c16-14-9-5-2-1-3-6-11-15(17)13-18-12-8-4-7-10-14/h1-13H2
InChIKeyYCTZNLNFZMZJMK-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxacyclohexadecane-3,11-dione?
The IUPAC name of oxacyclohexadecane-3,11-dione (CID 175181969) is oxacyclohexadecane-3,11-dione.
What is the SMILES notation for oxacyclohexadecane-3,11-dione?
The canonical SMILES for oxacyclohexadecane-3,11-dione is O=C1CCCCCCCC(=O)COCCCCC1.
What is the InChIKey of oxacyclohexadecane-3,11-dione?
The InChIKey is YCTZNLNFZMZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c16-14-9-5-2-1-3-6-11-15(17)13-18-12-8-4-7-10-14/h1-13H2.
What are the key properties of oxacyclohexadecane-3,11-dione?
oxacyclohexadecane-3,11-dione has a molecular weight of 254.37 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclohexadecane-3,11-dione is sourced from PubChem (CID 175181969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).