2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene

C15H24O5 — CID 123395759

IUPAC2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene
SMILESC=CC1=C(C=CC)OCCOCCOCCOCCO1
InChIInChI=1S/C15H24O5/c1-3-5-15-14(4-2)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h3-5H,2,6-13H2,1H3
InChIKeyACDKVYFVXVRTEL-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.06
Rot. Bonds2

About 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene

2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene (PubChem CID 123395759) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene.

Molecular Properties

Compound Name2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene
PubChem CID123395759
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene
SMILESC=CC1=C(C=CC)OCCOCCOCCOCCO1
InChIInChI=1S/C15H24O5/c1-3-5-15-14(4-2)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h3-5H,2,6-13H2,1H3
InChIKeyACDKVYFVXVRTEL-UHFFFAOYSA-N
XLogP2.06
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene?
The IUPAC name of 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene (CID 123395759) is 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene.
What is the SMILES notation for 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene?
The canonical SMILES for 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene is C=CC1=C(C=CC)OCCOCCOCCOCCO1.
What is the InChIKey of 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene?
The InChIKey is ACDKVYFVXVRTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-3-5-15-14(4-2)19-12-10-17-8-6-16-7-9-18-11-13-20-15/h3-5H,2,6-13H2,1H3.
What are the key properties of 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene?
2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene has a molecular weight of 284.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-prop-1-enyl-1,4,7,10,13-pentaoxacyclopentadec-2-ene is sourced from PubChem (CID 123395759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).