(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene

C20H20O6 — CID 118202396

IUPAC(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene
SMILESC=Cc1ccc(COC/C2=C\O/C=C/O/C=C/O/C=C/O/C=C/O2)cc1
InChIInChI=1S/C20H20O6/c1-2-18-3-5-19(6-4-18)15-25-17-20-16-24-12-11-22-8-7-21-9-10-23-13-14-26-20/h2-14,16H,1,15,17H2/b8-7+,10-9+,12-11+,14-13+,20-16+
InChIKeyYSOZIIHOKDMWCF-JAERHHKNSA-N
MW356.37 g/mol
LogP4.67
Rot. Bonds5

About (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene

(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene (PubChem CID 118202396) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene.

Molecular Properties

Compound Name(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene
PubChem CID118202396
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene
SMILESC=Cc1ccc(COC/C2=C\O/C=C/O/C=C/O/C=C/O/C=C/O2)cc1
InChIInChI=1S/C20H20O6/c1-2-18-3-5-19(6-4-18)15-25-17-20-16-24-12-11-22-8-7-21-9-10-23-13-14-26-20/h2-14,16H,1,15,17H2/b8-7+,10-9+,12-11+,14-13+,20-16+
InChIKeyYSOZIIHOKDMWCF-JAERHHKNSA-N
XLogP4.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene?
The IUPAC name of (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene (CID 118202396) is (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene.
What is the SMILES notation for (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene?
The canonical SMILES for (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene is C=Cc1ccc(COC/C2=C\O/C=C/O/C=C/O/C=C/O/C=C/O2)cc1.
What is the InChIKey of (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene?
The InChIKey is YSOZIIHOKDMWCF-JAERHHKNSA-N. The full InChI is InChI=1S/C20H20O6/c1-2-18-3-5-19(6-4-18)15-25-17-20-16-24-12-11-22-8-7-21-9-10-23-13-14-26-20/h2-14,16H,1,15,17H2/b8-7+,10-9+,12-11+,14-13+,20-16+.
What are the key properties of (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene?
(2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene has a molecular weight of 356.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,8E,11E,14E)-2-[(4-ethenylphenyl)methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadeca-2,5,8,11,14-pentaene is sourced from PubChem (CID 118202396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).