(3-methoxy-3-methylbutan-2-yl)-trimethylazanium

C9H22NO+ — CID 21280619

IUPAC(3-methoxy-3-methylbutan-2-yl)-trimethylazanium
SMILESCOC(C)(C)C(C)[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-8(10(4,5)6)9(2,3)11-7/h8H,1-7H3/q+1
InChIKeyBPSOFPYGQVCOLO-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds3

About (3-methoxy-3-methylbutan-2-yl)-trimethylazanium

(3-methoxy-3-methylbutan-2-yl)-trimethylazanium (PubChem CID 21280619) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is (3-methoxy-3-methylbutan-2-yl)-trimethylazanium.

Molecular Properties

Compound Name(3-methoxy-3-methylbutan-2-yl)-trimethylazanium
PubChem CID21280619
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name(3-methoxy-3-methylbutan-2-yl)-trimethylazanium
SMILESCOC(C)(C)C(C)[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-8(10(4,5)6)9(2,3)11-7/h8H,1-7H3/q+1
InChIKeyBPSOFPYGQVCOLO-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutan-2-yl)-trimethylazanium?
The IUPAC name of (3-methoxy-3-methylbutan-2-yl)-trimethylazanium (CID 21280619) is (3-methoxy-3-methylbutan-2-yl)-trimethylazanium.
What is the SMILES notation for (3-methoxy-3-methylbutan-2-yl)-trimethylazanium?
The canonical SMILES for (3-methoxy-3-methylbutan-2-yl)-trimethylazanium is COC(C)(C)C(C)[N+](C)(C)C.
What is the InChIKey of (3-methoxy-3-methylbutan-2-yl)-trimethylazanium?
The InChIKey is BPSOFPYGQVCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-8(10(4,5)6)9(2,3)11-7/h8H,1-7H3/q+1.
What are the key properties of (3-methoxy-3-methylbutan-2-yl)-trimethylazanium?
(3-methoxy-3-methylbutan-2-yl)-trimethylazanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutan-2-yl)-trimethylazanium is sourced from PubChem (CID 21280619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).