methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane

C15H36O2 — CID 174359960

IUPACmethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
SMILESC.CC(C)(C)OC(C)(C)C.CC(C)OC(C)C
InChIInChI=1S/C8H18O.C6H14O.CH4/c1-7(2,3)9-8(4,5)6;1-5(2)7-6(3)4;/h1-6H3;5-6H,1-4H3;1H4
InChIKeyBETBESWJBLYMRG-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.06
Rot. Bonds2

About methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane

methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane (PubChem CID 174359960) has the molecular formula C15H36O2 and a molecular weight of 248.45 g/mol. Its IUPAC name is methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane.

Molecular Properties

Compound Namemethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
PubChem CID174359960
Molecular FormulaC15H36O2
Molecular Weight248.45 g/mol
Exact Mass248.27
IUPAC Namemethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane
SMILESC.CC(C)(C)OC(C)(C)C.CC(C)OC(C)C
InChIInChI=1S/C8H18O.C6H14O.CH4/c1-7(2,3)9-8(4,5)6;1-5(2)7-6(3)4;/h1-6H3;5-6H,1-4H3;1H4
InChIKeyBETBESWJBLYMRG-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane?
The IUPAC name of methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane (CID 174359960) is methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane.
What is the SMILES notation for methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane?
The canonical SMILES for methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane is C.CC(C)(C)OC(C)(C)C.CC(C)OC(C)C.
What is the InChIKey of methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane?
The InChIKey is BETBESWJBLYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H14O.CH4/c1-7(2,3)9-8(4,5)6;1-5(2)7-6(3)4;/h1-6H3;5-6H,1-4H3;1H4.
What are the key properties of methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane?
methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane has a molecular weight of 248.45 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-propan-2-yloxypropane is sourced from PubChem (CID 174359960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).