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

C12H28O — CID 87576722

IUPACbutane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCC
InChIInChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-3-4-2/h1-6H3;3-4H2,1-2H3
InChIKeyGPZNQFBQFDYIKU-UHFFFAOYSA-N
MW188.35 g/mol
LogP4.41
Rot. Bonds1

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

butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 87576722) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Namebutane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID87576722
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Namebutane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCCC
InChIInChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-3-4-2/h1-6H3;3-4H2,1-2H3
InChIKeyGPZNQFBQFDYIKU-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 87576722) is butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.CCCC.
What is the InChIKey of butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is GPZNQFBQFDYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10/c1-7(2,3)9-8(4,5)6;1-3-4-2/h1-6H3;3-4H2,1-2H3.
What are the key properties of butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 188.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 87576722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).