1,6-dioxacyclohexadecane-2,5-dione

C14H24O4 — CID 22483454

IUPAC1,6-dioxacyclohexadecane-2,5-dione
SMILESO=C1CCC(=O)OCCCCCCCCCCO1
InChIInChI=1S/C14H24O4/c15-13-9-10-14(16)18-12-8-6-4-2-1-3-5-7-11-17-13/h1-12H2
InChIKeyQWUVDMOLNYRJTI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.99
Rot. Bonds

About 1,6-dioxacyclohexadecane-2,5-dione

1,6-dioxacyclohexadecane-2,5-dione (PubChem CID 22483454) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,6-dioxacyclohexadecane-2,5-dione.

Molecular Properties

Compound Name1,6-dioxacyclohexadecane-2,5-dione
PubChem CID22483454
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1,6-dioxacyclohexadecane-2,5-dione
SMILESO=C1CCC(=O)OCCCCCCCCCCO1
InChIInChI=1S/C14H24O4/c15-13-9-10-14(16)18-12-8-6-4-2-1-3-5-7-11-17-13/h1-12H2
InChIKeyQWUVDMOLNYRJTI-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclohexadecane-2,5-dione?
The IUPAC name of 1,6-dioxacyclohexadecane-2,5-dione (CID 22483454) is 1,6-dioxacyclohexadecane-2,5-dione.
What is the SMILES notation for 1,6-dioxacyclohexadecane-2,5-dione?
The canonical SMILES for 1,6-dioxacyclohexadecane-2,5-dione is O=C1CCC(=O)OCCCCCCCCCCO1.
What is the InChIKey of 1,6-dioxacyclohexadecane-2,5-dione?
The InChIKey is QWUVDMOLNYRJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-13-9-10-14(16)18-12-8-6-4-2-1-3-5-7-11-17-13/h1-12H2.
What are the key properties of 1,6-dioxacyclohexadecane-2,5-dione?
1,6-dioxacyclohexadecane-2,5-dione has a molecular weight of 256.34 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclohexadecane-2,5-dione is sourced from PubChem (CID 22483454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).