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

C23H41Cl2N3O — CID 20740905

IUPAC2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine
SMILESCCCCCCCCCCC(CCCCCCCC)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C23H41Cl2N3O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-29-23-27-21(24)26-22(25)28-23/h20H,3-19H2,1-2H3
InChIKeyFRALFUJDDGQNHA-UHFFFAOYSA-N
MW446.51 g/mol
LogP8.45
Rot. Bonds19

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

2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine (PubChem CID 20740905) has the molecular formula C23H41Cl2N3O and a molecular weight of 446.51 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine
PubChem CID20740905
Molecular FormulaC23H41Cl2N3O
Molecular Weight446.51 g/mol
Exact Mass445.26
IUPAC Name2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine
SMILESCCCCCCCCCCC(CCCCCCCC)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C23H41Cl2N3O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-29-23-27-21(24)26-22(25)28-23/h20H,3-19H2,1-2H3
InChIKeyFRALFUJDDGQNHA-UHFFFAOYSA-N
XLogP8.45
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 58.45
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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Related Compounds

2-Chloro-4,6-bis(octyloxy)-1,3,5-triazine
CID 20574708
2,4-Dichloro-6-(decyloxy)-1,3,5-triazine
CID 11970986
2,4-Dichloro-6-(octadecyloxy)-1,3,5-triazine
CID 11970992
2,4,6-Tris(2-ethylhexoxy)-1,3,5-triazine
CID 298172
1,3,5-Triazine, 2-chloro-4,6-bis(dodecyloxy)-
CID 590644
2,4-Dichloro-6-(octyloxy)-1,3,5-triazine
CID 14916845
N,N,N',N',N'',N''-Hexakis(((2-octyldodecyl)oxy)methyl)-1,3,5-triazine-2,4,6-triamine
CID 11970882
2,4-Dichloro-6-(tetradecyloxy)-1,3,5-triazine
CID 11970987
6-Chloro-2,4-bis(n-hexadecyloxy)-1,3,5-triazine
CID 590640
2,4-Dichloro-6-(2-decyltetradecoxy)-1,3,5-triazine
CID 9848917
2-Chloro-4,6-bis(octadecyloxy)-1,3,5-triazine
CID 14236381
2-Chloro-4-octadecoxy-6-octoxy-1,3,5-triazine
CID 20574705

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine (CID 20740905) is 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine is CCCCCCCCCCC(CCCCCCCC)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine?
The InChIKey is FRALFUJDDGQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41Cl2N3O/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-29-23-27-21(24)26-22(25)28-23/h20H,3-19H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-octyldodecoxy)-1,3,5-triazine has a molecular weight of 446.51 g/mol, XLogP of 8.45, 19 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-octyldodecoxy)-1,3,5-triazine is sourced from PubChem (CID 20740905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).