2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine

C26H36N6O6 — CID 20511991

IUPAC2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
SMILESC/C=C/COc1nc(OC/C=C/C)nc(OCCCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1
InChIInChI=1S/C26H36N6O6/c1-5-9-15-33-21-27-22(34-16-10-6-2)30-25(29-21)37-19-13-14-20-38-26-31-23(35-17-11-7-3)28-24(32-26)36-18-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyIWIIGBWJZSZEPW-HFBXSBKTSA-N
MW528.61 g/mol
LogP4.11
Rot. Bonds19

About 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine

2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine (PubChem CID 20511991) has the molecular formula C26H36N6O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
PubChem CID20511991
Molecular FormulaC26H36N6O6
Molecular Weight528.61 g/mol
Exact Mass528.27
IUPAC Name2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
SMILESC/C=C/COc1nc(OC/C=C/C)nc(OCCCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1
InChIInChI=1S/C26H36N6O6/c1-5-9-15-33-21-27-22(34-16-10-6-2)30-25(29-21)37-19-13-14-20-38-26-31-23(35-17-11-7-3)28-24(32-26)36-18-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyIWIIGBWJZSZEPW-HFBXSBKTSA-N
XLogP4.11
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

Chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)
CID 139263258
2-[2-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20268124
2-[4-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20268127
2-[2-[2-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20427236
2-[6-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20427245
2-[4-[[4,6-Bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
CID 20511993
2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
CID 20512019
2-[10-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
CID 20512025
2-[6-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
CID 20512038
2-[2-[2-[[4,6-Bis(but-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis(but-2-enoxy)-1,3,5-triazine
CID 53874399
2-[4-[[4,6-Bis(but-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(but-2-enoxy)-1,3,5-triazine
CID 53938804
2-[6-[[4,6-Bis(but-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(but-2-enoxy)-1,3,5-triazine
CID 54024779

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The IUPAC name of 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine (CID 20511991) is 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The canonical SMILES for 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine is C/C=C/COc1nc(OC/C=C/C)nc(OCCCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1.
What is the InChIKey of 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The InChIKey is IWIIGBWJZSZEPW-HFBXSBKTSA-N. The full InChI is InChI=1S/C26H36N6O6/c1-5-9-15-33-21-27-22(34-16-10-6-2)30-25(29-21)37-19-13-14-20-38-26-31-23(35-17-11-7-3)28-24(32-26)36-18-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine has a molecular weight of 528.61 g/mol, XLogP of 4.11, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine is sourced from PubChem (CID 20511991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).