2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

C28H40N6O6 — CID 20512004

IUPAC2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
SMILESC=C(C)COc1nc(OCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1
InChIInChI=1S/C28H40N6O6/c1-19(2)15-37-25-29-23(30-26(33-25)38-16-20(3)4)35-13-11-9-10-12-14-36-24-31-27(39-17-21(5)6)34-28(32-24)40-18-22(7)8/h1,3,5,7,9-18H2,2,4,6,8H3
InChIKeyUYYHKDGNMSBLGS-UHFFFAOYSA-N
MW556.66 g/mol
LogP4.89
Rot. Bonds21

About 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (PubChem CID 20512004) has the molecular formula C28H40N6O6 and a molecular weight of 556.66 g/mol. Its IUPAC name is 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
PubChem CID20512004
Molecular FormulaC28H40N6O6
Molecular Weight556.66 g/mol
Exact Mass556.30
IUPAC Name2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
SMILESC=C(C)COc1nc(OCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1
InChIInChI=1S/C28H40N6O6/c1-19(2)15-37-25-29-23(30-26(33-25)38-16-20(3)4)35-13-11-9-10-12-14-36-24-31-27(39-17-21(5)6)34-28(32-24)40-18-22(7)8/h1,3,5,7,9-18H2,2,4,6,8H3
InChIKeyUYYHKDGNMSBLGS-UHFFFAOYSA-N
XLogP4.89
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 54.89
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-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (CID 20512004) is 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is C=C(C)COc1nc(OCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1.
What is the InChIKey of 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The InChIKey is UYYHKDGNMSBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O6/c1-19(2)15-37-25-29-23(30-26(33-25)38-16-20(3)4)35-13-11-9-10-12-14-36-24-31-27(39-17-21(5)6)34-28(32-24)40-18-22(7)8/h1,3,5,7,9-18H2,2,4,6,8H3.
What are the key properties of 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine has a molecular weight of 556.66 g/mol, XLogP of 4.89, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]hexoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 20512004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).