2-decoxy-4-prop-2-enoxy-1,3,5-triazine

C16H27N3O2 — CID 175353487

IUPAC2-decoxy-4-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1ncnc(OCCCCCCCCCC)n1
InChIInChI=1S/C16H27N3O2/c1-3-5-6-7-8-9-10-11-13-21-16-18-14-17-15(19-16)20-12-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyTVJRTOVXUVMMBG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.96
Rot. Bonds13

About 2-decoxy-4-prop-2-enoxy-1,3,5-triazine

2-decoxy-4-prop-2-enoxy-1,3,5-triazine (PubChem CID 175353487) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-decoxy-4-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-decoxy-4-prop-2-enoxy-1,3,5-triazine
PubChem CID175353487
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-decoxy-4-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1ncnc(OCCCCCCCCCC)n1
InChIInChI=1S/C16H27N3O2/c1-3-5-6-7-8-9-10-11-13-21-16-18-14-17-15(19-16)20-12-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyTVJRTOVXUVMMBG-UHFFFAOYSA-N
XLogP3.96
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
CID 150774956
2-pentoxy-1,3,5-triazine
CID 68953481
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
CID 175149649
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
2-[bromo(dinitro)methyl]-4-octoxy-1,3,5-triazine
CID 142765250
2-[10-[[4,6-bis(but-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(but-2-enoxy)-1,3,5-triazine
CID 54308545
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-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 19894488
2,4,6-tris(3-icosylsulfanylpropoxy)-1,3,5-triazine
CID 139944398
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-4-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2-decoxy-4-prop-2-enoxy-1,3,5-triazine (CID 175353487) is 2-decoxy-4-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2-decoxy-4-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2-decoxy-4-prop-2-enoxy-1,3,5-triazine is C=CCOc1ncnc(OCCCCCCCCCC)n1.
What is the InChIKey of 2-decoxy-4-prop-2-enoxy-1,3,5-triazine?
The InChIKey is TVJRTOVXUVMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-6-7-8-9-10-11-13-21-16-18-14-17-15(19-16)20-12-4-2/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 2-decoxy-4-prop-2-enoxy-1,3,5-triazine?
2-decoxy-4-prop-2-enoxy-1,3,5-triazine has a molecular weight of 293.41 g/mol, XLogP of 3.96, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-4-prop-2-enoxy-1,3,5-triazine is sourced from PubChem (CID 175353487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).