2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane

C16H31N3O3 — CID 144945851

IUPAC2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane
SMILESCC.CC(C)Oc1nc(OC(C)(C)C)nc(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O3.C2H6/c1-9(2)18-10-15-11(19-13(3,4)5)17-12(16-10)20-14(6,7)8;1-2/h9H,1-8H3;1-2H3
InChIKeyBZFHYJPRQMTXGV-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.04
Rot. Bonds4

About 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane

2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane (PubChem CID 144945851) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane
PubChem CID144945851
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane
SMILESCC.CC(C)Oc1nc(OC(C)(C)C)nc(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O3.C2H6/c1-9(2)18-10-15-11(19-13(3,4)5)17-12(16-10)20-14(6,7)8;1-2/h9H,1-8H3;1-2H3
InChIKeyBZFHYJPRQMTXGV-UHFFFAOYSA-N
XLogP4.04
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane?
The IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane (CID 144945851) is 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane.
What is the SMILES notation for 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane?
The canonical SMILES for 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane is CC.CC(C)Oc1nc(OC(C)(C)C)nc(OC(C)(C)C)n1.
What is the InChIKey of 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane?
The InChIKey is BZFHYJPRQMTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3.C2H6/c1-9(2)18-10-15-11(19-13(3,4)5)17-12(16-10)20-14(6,7)8;1-2/h9H,1-8H3;1-2H3.
What are the key properties of 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane?
2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane has a molecular weight of 313.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane is sourced from PubChem (CID 144945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).