18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane

C16H30O6 — CID 542435

IUPAC18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane
SMILESC=CCC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C16H30O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h2,16H,1,3-15H2
InChIKeyNMFLNAOWFJVKAX-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.29
Rot. Bonds2

About 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane

18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane (PubChem CID 542435) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane.

Molecular Properties

Compound Name18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane
PubChem CID542435
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane
SMILESC=CCC1COCCOCCOCCOCCOCCOC1
InChIInChI=1S/C16H30O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h2,16H,1,3-15H2
InChIKeyNMFLNAOWFJVKAX-UHFFFAOYSA-N
XLogP1.29
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.29
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 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The IUPAC name of 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane (CID 542435) is 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane.
What is the SMILES notation for 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The canonical SMILES for 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane is C=CCC1COCCOCCOCCOCCOCCOC1.
What is the InChIKey of 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane?
The InChIKey is NMFLNAOWFJVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-2-3-16-14-21-12-10-19-8-6-17-4-5-18-7-9-20-11-13-22-15-16/h2,16H,1,3-15H2.
What are the key properties of 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane?
18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane has a molecular weight of 318.41 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-prop-2-enyl-1,4,7,10,13,16-hexaoxacyclononadecane is sourced from PubChem (CID 542435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).