2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane

C23H42F3NO3 — CID 171557852

IUPAC2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane
SMILESCC.CC1CCOC(C)C1OC(C)(C)C.CCC.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H22O2.C7H6F3NO.C3H8.C2H6/c1-8-6-7-12-9(2)10(8)13-11(3,4)5;1-12-6-4-2-3-5(11-6)7(8,9)10;1-3-2;1-2/h8-10H,6-7H2,1-5H3;2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyIXFGRHMUYJTMGA-UHFFFAOYSA-N
MW437.59 g/mol
LogP7.17
Rot. Bonds2

About 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane

2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane (PubChem CID 171557852) has the molecular formula C23H42F3NO3 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane.

Molecular Properties

Compound Name2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane
PubChem CID171557852
Molecular FormulaC23H42F3NO3
Molecular Weight437.59 g/mol
Exact Mass437.31
IUPAC Name2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane
SMILESCC.CC1CCOC(C)C1OC(C)(C)C.CCC.COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H22O2.C7H6F3NO.C3H8.C2H6/c1-8-6-7-12-9(2)10(8)13-11(3,4)5;1-12-6-4-2-3-5(11-6)7(8,9)10;1-3-2;1-2/h8-10H,6-7H2,1-5H3;2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyIXFGRHMUYJTMGA-UHFFFAOYSA-N
XLogP7.17
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
6-(Difluoromethoxy)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 155970411
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
6-Methoxy-2,3-dimethylpyridine
CID 23423791
2-(2-Ethoxy-5-methylhex-1-en-3-yl)oxy-6-fluoropyridine
CID 101965805
2-(3-Fluoropent-4-enoxy)-6-methylpyridine
CID 134844997
2-[2-Ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxy-6-fluoropyridine
CID 135033897
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-methylpyridine
CID 166449996
2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-6-(1-(trifluoromethyl)cyclopropyl)pyridine
CID 166636784
(R)-6-((6-(trifluoromethyl)pyridin-2-yl)oxy)hexane-1,4-diyl diacetate
CID 168011254
(Z)-2-(hex-3-en-1-yloxy)-6-(trifluoromethyl)pyridine
CID 168011282
2-Methoxy-6-(propan-2-yl)pyridine
CID 20605529

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane?
The IUPAC name of 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane (CID 171557852) is 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane.
What is the SMILES notation for 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane?
The canonical SMILES for 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane is CC.CC1CCOC(C)C1OC(C)(C)C.CCC.COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane?
The InChIKey is IXFGRHMUYJTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C7H6F3NO.C3H8.C2H6/c1-8-6-7-12-9(2)10(8)13-11(3,4)5;1-12-6-4-2-3-5(11-6)7(8,9)10;1-3-2;1-2/h8-10H,6-7H2,1-5H3;2-4H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane?
2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane has a molecular weight of 437.59 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;2-methoxy-6-(trifluoromethyl)pyridine;propane is sourced from PubChem (CID 171557852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).