2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane

C20H38O10 — CID 552595

IUPAC2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC1COCCOCC(C2COCCOCCOCCOCCO2)OCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2
InChIKeyWTQWBJBCBVHRDF-UHFFFAOYSA-N
MW438.51 g/mol
LogP-0.08
Rot. Bonds1

About 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 552595) has the molecular formula C20H38O10 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID552595
Molecular FormulaC20H38O10
Molecular Weight438.51 g/mol
Exact Mass438.25
IUPAC Name2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC1COCCOCC(C2COCCOCCOCCOCCO2)OCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2
InChIKeyWTQWBJBCBVHRDF-UHFFFAOYSA-N
XLogP-0.08
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 552595) is 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane is C1COCCOCC(C2COCCOCCOCCOCCO2)OCCOCCO1.
What is the InChIKey of 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is WTQWBJBCBVHRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2.
What are the key properties of 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 438.51 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 552595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).