oxacyclohexadecan-8-one

C15H28O2 — CID 168890521

IUPACoxacyclohexadecan-8-one
SMILESO=C1CCCCCCCCOCCCCCC1
InChIInChI=1S/C15H28O2/c16-15-11-7-3-1-2-5-9-13-17-14-10-6-4-8-12-15/h1-14H2
InChIKeyWCIWRCKKIJMIRK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.27
Rot. Bonds

About oxacyclohexadecan-8-one

oxacyclohexadecan-8-one (PubChem CID 168890521) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is oxacyclohexadecan-8-one.

Molecular Properties

Compound Nameoxacyclohexadecan-8-one
PubChem CID168890521
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameoxacyclohexadecan-8-one
SMILESO=C1CCCCCCCCOCCCCCC1
InChIInChI=1S/C15H28O2/c16-15-11-7-3-1-2-5-9-13-17-14-10-6-4-8-12-15/h1-14H2
InChIKeyWCIWRCKKIJMIRK-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclononane;cyclononanone;methane;oxolane
CID 158546571
oxacyclohexadecane-3,11-dione
CID 175181969
cyclohexanone;1,3-dioxane
CID 158971255
cyclohexanone;oxan-3-one
CID 158530231
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
oxacycloundecan-3-one
CID 150542000
oxecan-3-one
CID 172740558
cyclopentadecanone;morpholine
CID 163448684
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718

Frequently Asked Questions

What is the IUPAC name of oxacyclohexadecan-8-one?
The IUPAC name of oxacyclohexadecan-8-one (CID 168890521) is oxacyclohexadecan-8-one.
What is the SMILES notation for oxacyclohexadecan-8-one?
The canonical SMILES for oxacyclohexadecan-8-one is O=C1CCCCCCCCOCCCCCC1.
What is the InChIKey of oxacyclohexadecan-8-one?
The InChIKey is WCIWRCKKIJMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-15-11-7-3-1-2-5-9-13-17-14-10-6-4-8-12-15/h1-14H2.
What are the key properties of oxacyclohexadecan-8-one?
oxacyclohexadecan-8-one has a molecular weight of 240.39 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclohexadecan-8-one is sourced from PubChem (CID 168890521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).