2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane

C15H29F3O2 — CID 88557172

IUPAC2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane
SMILESCC(C)(C)CC(C)(COCC(F)(F)F)COC(C)(C)C
InChIInChI=1S/C15H29F3O2/c1-12(2,3)8-14(7,10-20-13(4,5)6)9-19-11-15(16,17)18/h8-11H2,1-7H3
InChIKeyVHUZOPPCAWWGEW-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.82
Rot. Bonds6

About 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane

2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane (PubChem CID 88557172) has the molecular formula C15H29F3O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane
PubChem CID88557172
Molecular FormulaC15H29F3O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane
SMILESCC(C)(C)CC(C)(COCC(F)(F)F)COC(C)(C)C
InChIInChI=1S/C15H29F3O2/c1-12(2,3)8-14(7,10-20-13(4,5)6)9-19-11-15(16,17)18/h8-11H2,1-7H3
InChIKeyVHUZOPPCAWWGEW-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane?
The IUPAC name of 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane (CID 88557172) is 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane.
What is the SMILES notation for 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane?
The canonical SMILES for 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane is CC(C)(C)CC(C)(COCC(F)(F)F)COC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane?
The InChIKey is VHUZOPPCAWWGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3O2/c1-12(2,3)8-14(7,10-20-13(4,5)6)9-19-11-15(16,17)18/h8-11H2,1-7H3.
What are the key properties of 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane?
2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane has a molecular weight of 298.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane is sourced from PubChem (CID 88557172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).