1,4,7-tris(ethenoxy)cyclopentadecane

C21H36O3 — CID 90268020

IUPAC1,4,7-tris(ethenoxy)cyclopentadecane
SMILESC=COC1CCCCCCCCC(OC=C)CCC(OC=C)CC1
InChIInChI=1S/C21H36O3/c1-4-22-19-13-11-9-7-8-10-12-14-20(23-5-2)16-18-21(17-15-19)24-6-3/h4-6,19-21H,1-3,7-18H2
InChIKeyPRKIDTURWTXEDK-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.27
Rot. Bonds6

About 1,4,7-tris(ethenoxy)cyclopentadecane

1,4,7-tris(ethenoxy)cyclopentadecane (PubChem CID 90268020) has the molecular formula C21H36O3 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1,4,7-tris(ethenoxy)cyclopentadecane.

Molecular Properties

Compound Name1,4,7-tris(ethenoxy)cyclopentadecane
PubChem CID90268020
Molecular FormulaC21H36O3
Molecular Weight336.52 g/mol
Exact Mass336.27
IUPAC Name1,4,7-tris(ethenoxy)cyclopentadecane
SMILESC=COC1CCCCCCCCC(OC=C)CCC(OC=C)CC1
InChIInChI=1S/C21H36O3/c1-4-22-19-13-11-9-7-8-10-12-14-20(23-5-2)16-18-21(17-15-19)24-6-3/h4-6,19-21H,1-3,7-18H2
InChIKeyPRKIDTURWTXEDK-UHFFFAOYSA-N
XLogP6.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-tris(ethenoxy)cyclopentadecane?
The IUPAC name of 1,4,7-tris(ethenoxy)cyclopentadecane (CID 90268020) is 1,4,7-tris(ethenoxy)cyclopentadecane.
What is the SMILES notation for 1,4,7-tris(ethenoxy)cyclopentadecane?
The canonical SMILES for 1,4,7-tris(ethenoxy)cyclopentadecane is C=COC1CCCCCCCCC(OC=C)CCC(OC=C)CC1.
What is the InChIKey of 1,4,7-tris(ethenoxy)cyclopentadecane?
The InChIKey is PRKIDTURWTXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3/c1-4-22-19-13-11-9-7-8-10-12-14-20(23-5-2)16-18-21(17-15-19)24-6-3/h4-6,19-21H,1-3,7-18H2.
What are the key properties of 1,4,7-tris(ethenoxy)cyclopentadecane?
1,4,7-tris(ethenoxy)cyclopentadecane has a molecular weight of 336.52 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-tris(ethenoxy)cyclopentadecane is sourced from PubChem (CID 90268020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).