6-ethyl-1,4,8,12-tetraoxacyclopentadecane

C13H26O4 — CID 123605325

IUPAC6-ethyl-1,4,8,12-tetraoxacyclopentadecane
SMILESCCC1COCCCOCCCOCCOC1
InChIInChI=1S/C13H26O4/c1-2-13-11-16-8-4-6-14-5-3-7-15-9-10-17-12-13/h13H,2-12H2,1H3
InChIKeyOAMASYALFGHEQJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.87
Rot. Bonds1

About 6-ethyl-1,4,8,12-tetraoxacyclopentadecane

6-ethyl-1,4,8,12-tetraoxacyclopentadecane (PubChem CID 123605325) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-ethyl-1,4,8,12-tetraoxacyclopentadecane.

Molecular Properties

Compound Name6-ethyl-1,4,8,12-tetraoxacyclopentadecane
PubChem CID123605325
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name6-ethyl-1,4,8,12-tetraoxacyclopentadecane
SMILESCCC1COCCCOCCCOCCOC1
InChIInChI=1S/C13H26O4/c1-2-13-11-16-8-4-6-14-5-3-7-15-9-10-17-12-13/h13H,2-12H2,1H3
InChIKeyOAMASYALFGHEQJ-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4,8,12-tetraoxacyclopentadecane?
The IUPAC name of 6-ethyl-1,4,8,12-tetraoxacyclopentadecane (CID 123605325) is 6-ethyl-1,4,8,12-tetraoxacyclopentadecane.
What is the SMILES notation for 6-ethyl-1,4,8,12-tetraoxacyclopentadecane?
The canonical SMILES for 6-ethyl-1,4,8,12-tetraoxacyclopentadecane is CCC1COCCCOCCCOCCOC1.
What is the InChIKey of 6-ethyl-1,4,8,12-tetraoxacyclopentadecane?
The InChIKey is OAMASYALFGHEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-2-13-11-16-8-4-6-14-5-3-7-15-9-10-17-12-13/h13H,2-12H2,1H3.
What are the key properties of 6-ethyl-1,4,8,12-tetraoxacyclopentadecane?
6-ethyl-1,4,8,12-tetraoxacyclopentadecane has a molecular weight of 246.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4,8,12-tetraoxacyclopentadecane is sourced from PubChem (CID 123605325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).