2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane

C12H28O — CID 87070138

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
SMILESCC(C)(C)OC(C)(C)C.CC(C)C
InChIInChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;4H,1-3H3
InChIKeyLKWKOQMHBGXDOH-UHFFFAOYSA-N
MW188.35 g/mol
LogP4.26
Rot. Bonds

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane (PubChem CID 87070138) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
PubChem CID87070138
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
SMILESCC(C)(C)OC(C)(C)C.CC(C)C
InChIInChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;4H,1-3H3
InChIKeyLKWKOQMHBGXDOH-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane (CID 87070138) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane is CC(C)(C)OC(C)(C)C.CC(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane?
The InChIKey is LKWKOQMHBGXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;4H,1-3H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane?
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane has a molecular weight of 188.35 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane is sourced from PubChem (CID 87070138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).