2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine

C19H33Cl2N3O — CID 54059729

IUPAC2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine
SMILESCCCCCCCCC(CCCCCC)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C19H33Cl2N3O/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-25-19-23-17(20)22-18(21)24-19/h16H,3-15H2,1-2H3
InChIKeyLYUVJTJFEGHQCA-UHFFFAOYSA-N
MW390.40 g/mol
LogP6.89
Rot. Bonds15

About 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine

2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine (PubChem CID 54059729) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine
PubChem CID54059729
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine
SMILESCCCCCCCCC(CCCCCC)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C19H33Cl2N3O/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-25-19-23-17(20)22-18(21)24-19/h16H,3-15H2,1-2H3
InChIKeyLYUVJTJFEGHQCA-UHFFFAOYSA-N
XLogP6.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine (CID 54059729) is 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine is CCCCCCCCC(CCCCCC)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine?
The InChIKey is LYUVJTJFEGHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33Cl2N3O/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-25-19-23-17(20)22-18(21)24-19/h16H,3-15H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine has a molecular weight of 390.40 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-hexyldecoxy)-1,3,5-triazine is sourced from PubChem (CID 54059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).