1,2,3,4,5-pentaoxacyclononadecane

C14H28O5 — CID 87887088

IUPAC1,2,3,4,5-pentaoxacyclononadecane
SMILESC1CCCCCCCOOOOOCCCCCC1
InChIInChI=1S/C14H28O5/c1-2-4-6-8-10-12-14-16-18-19-17-15-13-11-9-7-5-3-1/h1-14H2
InChIKeyXYKMGWZPBDITJG-UHFFFAOYSA-N
MW276.37 g/mol
LogP4.42
Rot. Bonds

About 1,2,3,4,5-pentaoxacyclononadecane

1,2,3,4,5-pentaoxacyclononadecane (PubChem CID 87887088) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 1,2,3,4,5-pentaoxacyclononadecane.

Molecular Properties

Compound Name1,2,3,4,5-pentaoxacyclononadecane
PubChem CID87887088
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name1,2,3,4,5-pentaoxacyclononadecane
SMILESC1CCCCCCCOOOOOCCCCCC1
InChIInChI=1S/C14H28O5/c1-2-4-6-8-10-12-14-16-18-19-17-15-13-11-9-7-5-3-1/h1-14H2
InChIKeyXYKMGWZPBDITJG-UHFFFAOYSA-N
XLogP4.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trioxacyclotridecane
CID 173021633
trioxepane
CID 22026430
trioxane
CID 88655753
bis(trioxane);hydrobromide
CID 87292211
1,2,5-trioxecane
CID 21461492
1,4,7-trioxacyclotridecane
CID 118017817
sodium;dioxane;hydroxide
CID 23667844
cyclobutane;1,4-dioxane
CID 160886837
1,2,4-trioxonane
CID 139949049
1,2,3-trioxa-6,12-diazacyclopentadecane
CID 141220114
5,6-dinitro-1,2,3,4-tetraoxa-5,6-diazacyclododecane
CID 87587383
trioxecane-4-carbaldehyde
CID 91802201

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentaoxacyclononadecane?
The IUPAC name of 1,2,3,4,5-pentaoxacyclononadecane (CID 87887088) is 1,2,3,4,5-pentaoxacyclononadecane.
What is the SMILES notation for 1,2,3,4,5-pentaoxacyclononadecane?
The canonical SMILES for 1,2,3,4,5-pentaoxacyclononadecane is C1CCCCCCCOOOOOCCCCCC1.
What is the InChIKey of 1,2,3,4,5-pentaoxacyclononadecane?
The InChIKey is XYKMGWZPBDITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-2-4-6-8-10-12-14-16-18-19-17-15-13-11-9-7-5-3-1/h1-14H2.
What are the key properties of 1,2,3,4,5-pentaoxacyclononadecane?
1,2,3,4,5-pentaoxacyclononadecane has a molecular weight of 276.37 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentaoxacyclononadecane is sourced from PubChem (CID 87887088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).