(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene

C14H20O5 — CID 171855026

IUPAC(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene
SMILESC1=C2O/C=C\OCCOCCOCCOC2=CCC1
InChIInChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h3-4,9,11H,1-2,5-8,10,12H2/b11-9-
InChIKeyPKWDVHLAUIMTKH-LUAWRHEFSA-N
MW268.31 g/mol
LogP2.12
Rot. Bonds

About (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene

(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene (PubChem CID 171855026) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene.

Molecular Properties

Compound Name(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene
PubChem CID171855026
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene
SMILESC1=C2O/C=C\OCCOCCOCCOC2=CCC1
InChIInChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h3-4,9,11H,1-2,5-8,10,12H2/b11-9-
InChIKeyPKWDVHLAUIMTKH-LUAWRHEFSA-N
XLogP2.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene?
The IUPAC name of (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene (CID 171855026) is (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene.
What is the SMILES notation for (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene?
The canonical SMILES for (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene is C1=C2O/C=C\OCCOCCOCCOC2=CCC1.
What is the InChIKey of (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene?
The InChIKey is PKWDVHLAUIMTKH-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h3-4,9,11H,1-2,5-8,10,12H2/b11-9-.
What are the key properties of (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene?
(3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene has a molecular weight of 268.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),3,15-triene is sourced from PubChem (CID 171855026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).