2,4,6-tridodecoxy-1,3,5-triazine

C39H75N3O3 — CID 543725

IUPAC2,4,6-tridodecoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCOc1nc(OCCCCCCCCCCCC)nc(OCCCCCCCCCCCC)n1
InChIInChI=1S/C39H75N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-43-37-40-38(44-35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)45-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyFJANLYPPNRVPPG-UHFFFAOYSA-N
MW634.05 g/mol
LogP12.77
Rot. Bonds36

About 2,4,6-tridodecoxy-1,3,5-triazine

2,4,6-tridodecoxy-1,3,5-triazine (PubChem CID 543725) has the molecular formula C39H75N3O3 and a molecular weight of 634.05 g/mol. Its IUPAC name is 2,4,6-tridodecoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tridodecoxy-1,3,5-triazine
PubChem CID543725
Molecular FormulaC39H75N3O3
Molecular Weight634.05 g/mol
Exact Mass633.58
IUPAC Name2,4,6-tridodecoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCOc1nc(OCCCCCCCCCCCC)nc(OCCCCCCCCCCCC)n1
InChIInChI=1S/C39H75N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-43-37-40-38(44-35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)45-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyFJANLYPPNRVPPG-UHFFFAOYSA-N
XLogP12.77
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.05
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis(methoxymethyl)tetrakis((octadecyloxy)methyl)melamine
CID 121232749
s-Triazine, 4,6-diamino-2-nonoxy-
CID 88171
6-(Octyloxy)-1,3,5-triazine-2,4-diamine
CID 88172
6-(Heptyloxy)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 116004
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadecyloxy)methyl]-
CID 106496
2,4,6-Trihexyloxy-sym-triazine
CID 129818487
N,N,N',N',N''-pentakis(methoxymethyl)-N''-[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 118650
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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tridodecoxy-1,3,5-triazine?
The IUPAC name of 2,4,6-tridodecoxy-1,3,5-triazine (CID 543725) is 2,4,6-tridodecoxy-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tridodecoxy-1,3,5-triazine?
The canonical SMILES for 2,4,6-tridodecoxy-1,3,5-triazine is CCCCCCCCCCCCOc1nc(OCCCCCCCCCCCC)nc(OCCCCCCCCCCCC)n1.
What is the InChIKey of 2,4,6-tridodecoxy-1,3,5-triazine?
The InChIKey is FJANLYPPNRVPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H75N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-43-37-40-38(44-35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)45-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3.
What are the key properties of 2,4,6-tridodecoxy-1,3,5-triazine?
2,4,6-tridodecoxy-1,3,5-triazine has a molecular weight of 634.05 g/mol, XLogP of 12.77, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tridodecoxy-1,3,5-triazine is sourced from PubChem (CID 543725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).