1,4,8,12,16,19,23,27-octaoxacyclotriacontane

C22H44O8 — CID 90875685

IUPAC1,4,8,12,16,19,23,27-octaoxacyclotriacontane
SMILESC1COCCCOCCOCCCOCCCOCCCOCCOCCCOC1
InChIInChI=1S/C22H44O8/c1-7-23-11-3-15-27-19-21-29-17-5-13-25-9-2-10-26-14-6-18-30-22-20-28-16-4-12-24-8-1/h1-22H2
InChIKeyLKNQTUQBYIQWFZ-UHFFFAOYSA-N
MW436.59 g/mol
LogP2.47
Rot. Bonds

About 1,4,8,12,16,19,23,27-octaoxacyclotriacontane

1,4,8,12,16,19,23,27-octaoxacyclotriacontane (PubChem CID 90875685) has the molecular formula C22H44O8 and a molecular weight of 436.59 g/mol. Its IUPAC name is 1,4,8,12,16,19,23,27-octaoxacyclotriacontane.

Molecular Properties

Compound Name1,4,8,12,16,19,23,27-octaoxacyclotriacontane
PubChem CID90875685
Molecular FormulaC22H44O8
Molecular Weight436.59 g/mol
Exact Mass436.30
IUPAC Name1,4,8,12,16,19,23,27-octaoxacyclotriacontane
SMILESC1COCCCOCCOCCCOCCCOCCCOCCOCCCOC1
InChIInChI=1S/C22H44O8/c1-7-23-11-3-15-27-19-21-29-17-5-13-25-9-2-10-26-14-6-18-30-22-20-28-16-4-12-24-8-1/h1-22H2
InChIKeyLKNQTUQBYIQWFZ-UHFFFAOYSA-N
XLogP2.47
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,12,16,19,23,27-octaoxacyclotriacontane?
The IUPAC name of 1,4,8,12,16,19,23,27-octaoxacyclotriacontane (CID 90875685) is 1,4,8,12,16,19,23,27-octaoxacyclotriacontane.
What is the SMILES notation for 1,4,8,12,16,19,23,27-octaoxacyclotriacontane?
The canonical SMILES for 1,4,8,12,16,19,23,27-octaoxacyclotriacontane is C1COCCCOCCOCCCOCCCOCCCOCCOCCCOC1.
What is the InChIKey of 1,4,8,12,16,19,23,27-octaoxacyclotriacontane?
The InChIKey is LKNQTUQBYIQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O8/c1-7-23-11-3-15-27-19-21-29-17-5-13-25-9-2-10-26-14-6-18-30-22-20-28-16-4-12-24-8-1/h1-22H2.
What are the key properties of 1,4,8,12,16,19,23,27-octaoxacyclotriacontane?
1,4,8,12,16,19,23,27-octaoxacyclotriacontane has a molecular weight of 436.59 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,12,16,19,23,27-octaoxacyclotriacontane is sourced from PubChem (CID 90875685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).