bis[(2-methylpropan-2-yl)oxy]methanol

C9H20O3 — CID 121276629

IUPACbis[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)OC(C)(C)C
InChIInChI=1S/C9H20O3/c1-8(2,3)11-7(10)12-9(4,5)6/h7,10H,1-6H3
InChIKeySUALSPCYKMZZKT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.89
Rot. Bonds2

About bis[(2-methylpropan-2-yl)oxy]methanol

bis[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 121276629) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]methanol
PubChem CID121276629
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Namebis[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)OC(C)(C)C
InChIInChI=1S/C9H20O3/c1-8(2,3)11-7(10)12-9(4,5)6/h7,10H,1-6H3
InChIKeySUALSPCYKMZZKT-UHFFFAOYSA-N
XLogP1.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]methanol (CID 121276629) is bis[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is SUALSPCYKMZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-8(2,3)11-7(10)12-9(4,5)6/h7,10H,1-6H3.
What are the key properties of bis[(2-methylpropan-2-yl)oxy]methanol?
bis[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 176.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 121276629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).