2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C14H26O6 — CID 58827418

IUPAC2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C14H26O6/c1-2-14-13-19-10-9-17-6-5-15-3-4-16-7-8-18-11-12-20-14/h2,14H,1,3-13H2
InChIKeySDNLZABCSYHMCF-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.65
Rot. Bonds1

About 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 58827418) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID58827418
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C14H26O6/c1-2-14-13-19-10-9-17-6-5-15-3-4-16-7-8-18-11-12-20-14/h2,14H,1,3-13H2
InChIKeySDNLZABCSYHMCF-UHFFFAOYSA-N
XLogP0.65
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 58827418) is 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane is C=CC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is SDNLZABCSYHMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-2-14-13-19-10-9-17-6-5-15-3-4-16-7-8-18-11-12-20-14/h2,14H,1,3-13H2.
What are the key properties of 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 290.36 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 58827418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).