2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C17H38O2 — CID 157208820

IUPAC2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)COC(C)(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H20O.C8H18O/c1-8(2,3)7-10-9(4,5)6;1-7(2,3)9-8(4,5)6/h7H2,1-6H3;1-6H3
InChIKeyARQRSTGASOVQSX-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.45
Rot. Bonds1

About 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 157208820) has the molecular formula C17H38O2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID157208820
Molecular FormulaC17H38O2
Molecular Weight274.49 g/mol
Exact Mass274.29
IUPAC Name2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)COC(C)(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C9H20O.C8H18O/c1-8(2,3)7-10-9(4,5)6;1-7(2,3)9-8(4,5)6/h7H2,1-6H3;1-6H3
InChIKeyARQRSTGASOVQSX-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 157208820) is 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)COC(C)(C)C.CC(C)(C)OC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is ARQRSTGASOVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C8H18O/c1-8(2,3)7-10-9(4,5)6;1-7(2,3)9-8(4,5)6/h7H2,1-6H3;1-6H3.
What are the key properties of 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 274.49 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 157208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).