2-hydroxypropan-2-yl(trimethyl)azanium hydroxide

C6H17NO2 — CID 88654299

IUPAC2-hydroxypropan-2-yl(trimethyl)azanium hydroxide
SMILESCC(C)(O)[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H16NO.H2O/c1-6(2,8)7(3,4)5;/h8H,1-5H3;1H2/q+1;/p-1
InChIKeyZMUVKLOPJDZKSL-UHFFFAOYSA-M
MW135.21 g/mol
LogP0.24
Rot. Bonds1

About 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide

2-hydroxypropan-2-yl(trimethyl)azanium hydroxide (PubChem CID 88654299) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2-hydroxypropan-2-yl(trimethyl)azanium hydroxide
PubChem CID88654299
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Name2-hydroxypropan-2-yl(trimethyl)azanium hydroxide
SMILESCC(C)(O)[N+](C)(C)C.[OH-]
InChIInChI=1S/C6H16NO.H2O/c1-6(2,8)7(3,4)5;/h8H,1-5H3;1H2/q+1;/p-1
InChIKeyZMUVKLOPJDZKSL-UHFFFAOYSA-M
XLogP0.24
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl(trimethyl)azanium bromide
CID 23065042
2-(dimethylamino)propan-2-ol
CID 11251968
methane;2-methylpropan-2-ol
CID 157161859
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
ethane-1,1,1-triol;hydrochloride
CID 21272946
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
carbanide;tetrakis(2-methylpropan-2-ol);propane-2,2-diol;tantalum;bis(tantalum(2+));pentahydrate
CID 162165388
1,1-dihydroxypropyl(trimethyl)azanium chloride
CID 87060130

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide?
The IUPAC name of 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide (CID 88654299) is 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide?
The canonical SMILES for 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide is CC(C)(O)[N+](C)(C)C.[OH-].
What is the InChIKey of 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide?
The InChIKey is ZMUVKLOPJDZKSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.H2O/c1-6(2,8)7(3,4)5;/h8H,1-5H3;1H2/q+1;/p-1.
What are the key properties of 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide?
2-hydroxypropan-2-yl(trimethyl)azanium hydroxide has a molecular weight of 135.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl(trimethyl)azanium hydroxide is sourced from PubChem (CID 88654299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).