2-cyclohexyl-1,4-dioxecane-5,10-dione

C14H22O4 — CID 54163807

IUPAC2-cyclohexyl-1,4-dioxecane-5,10-dione
SMILESO=C1CCCCC(=O)OC(C2CCCCC2)CO1
InChIInChI=1S/C14H22O4/c15-13-8-4-5-9-14(16)18-12(10-17-13)11-6-2-1-3-7-11/h11-12H,1-10H2
InChIKeyOQGGYFCFDMASEF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.60
Rot. Bonds1

About 2-cyclohexyl-1,4-dioxecane-5,10-dione

2-cyclohexyl-1,4-dioxecane-5,10-dione (PubChem CID 54163807) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclohexyl-1,4-dioxecane-5,10-dione.

Molecular Properties

Compound Name2-cyclohexyl-1,4-dioxecane-5,10-dione
PubChem CID54163807
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-cyclohexyl-1,4-dioxecane-5,10-dione
SMILESO=C1CCCCC(=O)OC(C2CCCCC2)CO1
InChIInChI=1S/C14H22O4/c15-13-8-4-5-9-14(16)18-12(10-17-13)11-6-2-1-3-7-11/h11-12H,1-10H2
InChIKeyOQGGYFCFDMASEF-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,4-dioxecane-5,10-dione?
The IUPAC name of 2-cyclohexyl-1,4-dioxecane-5,10-dione (CID 54163807) is 2-cyclohexyl-1,4-dioxecane-5,10-dione.
What is the SMILES notation for 2-cyclohexyl-1,4-dioxecane-5,10-dione?
The canonical SMILES for 2-cyclohexyl-1,4-dioxecane-5,10-dione is O=C1CCCCC(=O)OC(C2CCCCC2)CO1.
What is the InChIKey of 2-cyclohexyl-1,4-dioxecane-5,10-dione?
The InChIKey is OQGGYFCFDMASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13-8-4-5-9-14(16)18-12(10-17-13)11-6-2-1-3-7-11/h11-12H,1-10H2.
What are the key properties of 2-cyclohexyl-1,4-dioxecane-5,10-dione?
2-cyclohexyl-1,4-dioxecane-5,10-dione has a molecular weight of 254.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,4-dioxecane-5,10-dione is sourced from PubChem (CID 54163807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).