2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane

C12H32NO2+ — CID 159618935

IUPAC2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane
SMILESC.C.CCC(C)C(O)OCC[N+](C)(C)C
InChIInChI=1S/C10H24NO2.2CH4/c1-6-9(2)10(12)13-8-7-11(3,4)5;;/h9-10,12H,6-8H2,1-5H3;2*1H4/q+1;;
InChIKeyMNQKMCAHLCYDFC-UHFFFAOYSA-N
MW222.39 g/mol
LogP2.35
Rot. Bonds6

About 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane

2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane (PubChem CID 159618935) has the molecular formula C12H32NO2+ and a molecular weight of 222.39 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane
PubChem CID159618935
Molecular FormulaC12H32NO2+
Molecular Weight222.39 g/mol
Exact Mass222.24
IUPAC Name2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane
SMILESC.C.CCC(C)C(O)OCC[N+](C)(C)C
InChIInChI=1S/C10H24NO2.2CH4/c1-6-9(2)10(12)13-8-7-11(3,4)5;;/h9-10,12H,6-8H2,1-5H3;2*1H4/q+1;;
InChIKeyMNQKMCAHLCYDFC-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.39
LogP ≤ 52.35
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

2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium
CID 21028953
2-[1,2-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 54074824
2-(2-tert-butyl-1-hydroxy-2,3,3-trimethylbutoxy)ethyl-trimethylazanium
CID 123439848
CID 157498325
CID 157498325
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
2-methyl-1-(3-methylbutoxy)pentan-1-ol
CID 57131480
bis(butan-2-ol);carbanide;tantalum
CID 22416357
2-[carboxy(chloro)methoxy]ethyl-trimethylazanium
CID 175461532
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-hexadecan-3-yloxyethyl(trimethyl)azanium chloride
CID 87446837
trimethyl-[2-(2-sulfobutanoyloxy)ethyl]azanium
CID 175376456

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane?
The IUPAC name of 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane (CID 159618935) is 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane.
What is the SMILES notation for 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane?
The canonical SMILES for 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane is C.C.CCC(C)C(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane?
The InChIKey is MNQKMCAHLCYDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO2.2CH4/c1-6-9(2)10(12)13-8-7-11(3,4)5;;/h9-10,12H,6-8H2,1-5H3;2*1H4/q+1;;.
What are the key properties of 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane?
2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane has a molecular weight of 222.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane is sourced from PubChem (CID 159618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).