butoxymethyl(trimethyl)azanium

C8H20NO+ — CID 3026389

IUPACbutoxymethyl(trimethyl)azanium
SMILESCCCCOC[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-5-6-7-10-8-9(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyXUMPOCLRQPWYDG-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.47
Rot. Bonds5

About butoxymethyl(trimethyl)azanium

butoxymethyl(trimethyl)azanium (PubChem CID 3026389) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is butoxymethyl(trimethyl)azanium.

Molecular Properties

Compound Namebutoxymethyl(trimethyl)azanium
PubChem CID3026389
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Namebutoxymethyl(trimethyl)azanium
SMILESCCCCOC[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-5-6-7-10-8-9(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyXUMPOCLRQPWYDG-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxymethyl(trimethyl)azanium?
The IUPAC name of butoxymethyl(trimethyl)azanium (CID 3026389) is butoxymethyl(trimethyl)azanium.
What is the SMILES notation for butoxymethyl(trimethyl)azanium?
The canonical SMILES for butoxymethyl(trimethyl)azanium is CCCCOC[N+](C)(C)C.
What is the InChIKey of butoxymethyl(trimethyl)azanium?
The InChIKey is XUMPOCLRQPWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-5-6-7-10-8-9(2,3)4/h5-8H2,1-4H3/q+1.
What are the key properties of butoxymethyl(trimethyl)azanium?
butoxymethyl(trimethyl)azanium has a molecular weight of 146.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethyl(trimethyl)azanium is sourced from PubChem (CID 3026389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).