dioxane;2-methylpropan-1-ol

C8H18O3 — CID 174912451

IUPACdioxane;2-methylpropan-1-ol
SMILESC1CCOOC1.CC(C)CO
InChIInChI=1S/C4H8O2.C4H10O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-4H2;4-5H,3H2,1-2H3
InChIKeyHUVYPFHIQXLBQM-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.36
Rot. Bonds1

About dioxane;2-methylpropan-1-ol

dioxane;2-methylpropan-1-ol (PubChem CID 174912451) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is dioxane;2-methylpropan-1-ol.

Molecular Properties

Compound Namedioxane;2-methylpropan-1-ol
PubChem CID174912451
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Namedioxane;2-methylpropan-1-ol
SMILESC1CCOOC1.CC(C)CO
InChIInChI=1S/C4H8O2.C4H10O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-4H2;4-5H,3H2,1-2H3
InChIKeyHUVYPFHIQXLBQM-UHFFFAOYSA-N
XLogP1.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-methylpropan-1-ol;titanium;dihydrochloride
CID 174321240
oxirane;propane;propane-1,2-diol
CID 174282162
magnesium;hydride;2-methylpropan-1-ol;hydrochloride
CID 173490256
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179

Frequently Asked Questions

What is the IUPAC name of dioxane;2-methylpropan-1-ol?
The IUPAC name of dioxane;2-methylpropan-1-ol (CID 174912451) is dioxane;2-methylpropan-1-ol.
What is the SMILES notation for dioxane;2-methylpropan-1-ol?
The canonical SMILES for dioxane;2-methylpropan-1-ol is C1CCOOC1.CC(C)CO.
What is the InChIKey of dioxane;2-methylpropan-1-ol?
The InChIKey is HUVYPFHIQXLBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H10O/c1-2-4-6-5-3-1;1-4(2)3-5/h1-4H2;4-5H,3H2,1-2H3.
What are the key properties of dioxane;2-methylpropan-1-ol?
dioxane;2-methylpropan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxane;2-methylpropan-1-ol is sourced from PubChem (CID 174912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).