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

C9H23NO2 — CID 88749814

IUPACtriethyl(2-hydroxypropan-2-yl)azanium hydroxide
SMILESCC[N+](CC)(CC)C(C)(C)O.[OH-]
InChIInChI=1S/C9H22NO.H2O/c1-6-10(7-2,8-3)9(4,5)11;/h11H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeySXGMUJOELASOBS-UHFFFAOYSA-M
MW177.29 g/mol
LogP1.41
Rot. Bonds4

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

triethyl(2-hydroxypropan-2-yl)azanium hydroxide (PubChem CID 88749814) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is triethyl(2-hydroxypropan-2-yl)azanium hydroxide.

Molecular Properties

Compound Nametriethyl(2-hydroxypropan-2-yl)azanium hydroxide
PubChem CID88749814
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Nametriethyl(2-hydroxypropan-2-yl)azanium hydroxide
SMILESCC[N+](CC)(CC)C(C)(C)O.[OH-]
InChIInChI=1S/C9H22NO.H2O/c1-6-10(7-2,8-3)9(4,5)11;/h11H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeySXGMUJOELASOBS-UHFFFAOYSA-M
XLogP1.41
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of triethyl(2-hydroxypropan-2-yl)azanium hydroxide?
The IUPAC name of triethyl(2-hydroxypropan-2-yl)azanium hydroxide (CID 88749814) is triethyl(2-hydroxypropan-2-yl)azanium hydroxide.
What is the SMILES notation for triethyl(2-hydroxypropan-2-yl)azanium hydroxide?
The canonical SMILES for triethyl(2-hydroxypropan-2-yl)azanium hydroxide is CC[N+](CC)(CC)C(C)(C)O.[OH-].
What is the InChIKey of triethyl(2-hydroxypropan-2-yl)azanium hydroxide?
The InChIKey is SXGMUJOELASOBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO.H2O/c1-6-10(7-2,8-3)9(4,5)11;/h11H,6-8H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of triethyl(2-hydroxypropan-2-yl)azanium hydroxide?
triethyl(2-hydroxypropan-2-yl)azanium hydroxide has a molecular weight of 177.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-hydroxypropan-2-yl)azanium hydroxide is sourced from PubChem (CID 88749814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).