2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium

C11H27NO2 — CID 21289029

IUPAC2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium
SMILESCC(C)(C)O[N+](C)(C)C.CC(C)(C)[O-]
InChIInChI=1S/C7H18NO.C4H9O/c1-7(2,3)9-8(4,5)6;1-4(2,3)5/h1-6H3;1-3H3/q+1;-1
InChIKeyAWYUGEMMEXWUEB-UHFFFAOYSA-N
MW205.34 g/mol
LogP1.57
Rot. Bonds1

About 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium

2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium (PubChem CID 21289029) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium.

Molecular Properties

Compound Name2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium
PubChem CID21289029
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Name2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium
SMILESCC(C)(C)O[N+](C)(C)C.CC(C)(C)[O-]
InChIInChI=1S/C7H18NO.C4H9O/c1-7(2,3)9-8(4,5)6;1-4(2,3)5/h1-6H3;1-3H3/q+1;-1
InChIKeyAWYUGEMMEXWUEB-UHFFFAOYSA-N
XLogP1.57
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium?
The IUPAC name of 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium (CID 21289029) is 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium.
What is the SMILES notation for 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium?
The canonical SMILES for 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium is CC(C)(C)O[N+](C)(C)C.CC(C)(C)[O-].
What is the InChIKey of 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium?
The InChIKey is AWYUGEMMEXWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO.C4H9O/c1-7(2,3)9-8(4,5)6;1-4(2,3)5/h1-6H3;1-3H3/q+1;-1.
What are the key properties of 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium?
2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium has a molecular weight of 205.34 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium is sourced from PubChem (CID 21289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).