2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene

C12H16O4 — CID 586075

IUPAC2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESc1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2
InChIKeyOAJNZFCPJVBYHB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.49
Rot. Bonds

About 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene

2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene (PubChem CID 586075) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene.

Molecular Properties

Compound Name2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene
PubChem CID586075
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESc1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2
InChIKeyOAJNZFCPJVBYHB-UHFFFAOYSA-N
XLogP1.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 61005
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CID 61155
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CID 348502

Frequently Asked Questions

What is the IUPAC name of 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The IUPAC name of 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene (CID 586075) is 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene.
What is the SMILES notation for 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The canonical SMILES for 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene is c1ccc2c(c1)OCCOCCOCCO2.
What is the InChIKey of 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The InChIKey is OAJNZFCPJVBYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2.
What are the key properties of 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene has a molecular weight of 224.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene is sourced from PubChem (CID 586075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).