2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane

C12H22O5 — CID 18327881

IUPAC2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC=CC1COCCOCCOCCOCCO1
InChIInChI=1S/C12H22O5/c1-2-12-11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h2,12H,1,3-11H2
InChIKeyUDYTWVAUJGEQDY-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.64
Rot. Bonds1

About 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane

2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 18327881) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID18327881
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC=CC1COCCOCCOCCOCCO1
InChIInChI=1S/C12H22O5/c1-2-12-11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h2,12H,1,3-11H2
InChIKeyUDYTWVAUJGEQDY-UHFFFAOYSA-N
XLogP0.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pentaoxacyclopentadecane?
The IUPAC name of 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 18327881) is 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane is C=CC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is UDYTWVAUJGEQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-2-12-11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h2,12H,1,3-11H2.
What are the key properties of 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane?
2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 246.30 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 18327881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).