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

C8H22O3 — CID 19356170

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate
SMILESCC(C)(C)OC(C)(C)C.O.O
InChIInChI=1S/C8H18O.2H2O/c1-7(2,3)9-8(4,5)6;;/h1-6H3;2*1H2
InChIKeyNYUVJJSNTLBLME-UHFFFAOYSA-N
MW166.26 g/mol
LogP0.95
Rot. Bonds

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

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate (PubChem CID 19356170) has the molecular formula C8H22O3 and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate
PubChem CID19356170
Molecular FormulaC8H22O3
Molecular Weight166.26 g/mol
Exact Mass166.16
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate
SMILESCC(C)(C)OC(C)(C)C.O.O
InChIInChI=1S/C8H18O.2H2O/c1-7(2,3)9-8(4,5)6;;/h1-6H3;2*1H2
InChIKeyNYUVJJSNTLBLME-UHFFFAOYSA-N
XLogP0.95
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 50.95
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;dihydrate?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate (CID 19356170) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate is CC(C)(C)OC(C)(C)C.O.O.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate?
The InChIKey is NYUVJJSNTLBLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2H2O/c1-7(2,3)9-8(4,5)6;;/h1-6H3;2*1H2.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate?
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;dihydrate has a molecular weight of 166.26 g/mol, XLogP of 0.95, 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;dihydrate is sourced from PubChem (CID 19356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).