5-(oxan-2-yloxy)undecane-2,4-dione

C16H28O4 — CID 23584006

IUPAC5-(oxan-2-yloxy)undecane-2,4-dione
SMILESCCCCCCC(OC1CCCCO1)C(=O)CC(C)=O
InChIInChI=1S/C16H28O4/c1-3-4-5-6-9-15(14(18)12-13(2)17)20-16-10-7-8-11-19-16/h15-16H,3-12H2,1-2H3
InChIKeyMKVMKMPOLQXHIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds10

About 5-(oxan-2-yloxy)undecane-2,4-dione

5-(oxan-2-yloxy)undecane-2,4-dione (PubChem CID 23584006) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)undecane-2,4-dione.

Molecular Properties

Compound Name5-(oxan-2-yloxy)undecane-2,4-dione
PubChem CID23584006
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name5-(oxan-2-yloxy)undecane-2,4-dione
SMILESCCCCCCC(OC1CCCCO1)C(=O)CC(C)=O
InChIInChI=1S/C16H28O4/c1-3-4-5-6-9-15(14(18)12-13(2)17)20-16-10-7-8-11-19-16/h15-16H,3-12H2,1-2H3
InChIKeyMKVMKMPOLQXHIQ-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxy)undecane-2,4-dione?
The IUPAC name of 5-(oxan-2-yloxy)undecane-2,4-dione (CID 23584006) is 5-(oxan-2-yloxy)undecane-2,4-dione.
What is the SMILES notation for 5-(oxan-2-yloxy)undecane-2,4-dione?
The canonical SMILES for 5-(oxan-2-yloxy)undecane-2,4-dione is CCCCCCC(OC1CCCCO1)C(=O)CC(C)=O.
What is the InChIKey of 5-(oxan-2-yloxy)undecane-2,4-dione?
The InChIKey is MKVMKMPOLQXHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-4-5-6-9-15(14(18)12-13(2)17)20-16-10-7-8-11-19-16/h15-16H,3-12H2,1-2H3.
What are the key properties of 5-(oxan-2-yloxy)undecane-2,4-dione?
5-(oxan-2-yloxy)undecane-2,4-dione has a molecular weight of 284.40 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)undecane-2,4-dione is sourced from PubChem (CID 23584006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).