1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane

C40H80O10 — CID 15446458

IUPAC1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
SMILESC1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1
InChIInChI=1S/C40H80O10/c1-2-22-42-24-5-6-26-44-28-9-10-30-46-32-13-14-34-48-36-17-18-38-50-40-20-19-39-49-37-16-15-35-47-33-12-11-31-45-29-8-7-27-43-25-4-3-23-41-21-1/h1-40H2
InChIKeyCEGORRDPSFSPNS-UHFFFAOYSA-N
MW721.07 g/mol
LogP7.97
Rot. Bonds

About 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane

1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane (PubChem CID 15446458) has the molecular formula C40H80O10 and a molecular weight of 721.07 g/mol. Its IUPAC name is 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane.

Molecular Properties

Compound Name1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
PubChem CID15446458
Molecular FormulaC40H80O10
Molecular Weight721.07 g/mol
Exact Mass720.58
IUPAC Name1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
SMILESC1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1
InChIInChI=1S/C40H80O10/c1-2-22-42-24-5-6-26-44-28-9-10-30-46-32-13-14-34-48-36-17-18-38-50-40-20-19-39-49-37-16-15-35-47-33-12-11-31-45-29-8-7-27-43-25-4-3-23-41-21-1/h1-40H2
InChIKeyCEGORRDPSFSPNS-UHFFFAOYSA-N
XLogP7.97
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.07
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;oxonane
CID 159283889
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
carbanide;oxolane;yttrium
CID 157283457

Frequently Asked Questions

What is the IUPAC name of 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane?
The IUPAC name of 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane (CID 15446458) is 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane.
What is the SMILES notation for 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane?
The canonical SMILES for 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane is C1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1.
What is the InChIKey of 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane?
The InChIKey is CEGORRDPSFSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H80O10/c1-2-22-42-24-5-6-26-44-28-9-10-30-46-32-13-14-34-48-36-17-18-38-50-40-20-19-39-49-37-16-15-35-47-33-12-11-31-45-29-8-7-27-43-25-4-3-23-41-21-1/h1-40H2.
What are the key properties of 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane?
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane has a molecular weight of 721.07 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane is sourced from PubChem (CID 15446458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).