butoxymethyl(trimethyl)azanium chloride

C8H20ClNO — CID 12769746

IUPACbutoxymethyl(trimethyl)azanium chloride
SMILESCCCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO.ClH/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyJREJKEPDSQGWQN-UHFFFAOYSA-M
MW181.71 g/mol
LogP-1.53
Rot. Bonds5

About butoxymethyl(trimethyl)azanium chloride

butoxymethyl(trimethyl)azanium chloride (PubChem CID 12769746) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is butoxymethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namebutoxymethyl(trimethyl)azanium chloride
PubChem CID12769746
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Namebutoxymethyl(trimethyl)azanium chloride
SMILESCCCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO.ClH/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyJREJKEPDSQGWQN-UHFFFAOYSA-M
XLogP-1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 5-1.53
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 chloride?
The IUPAC name of butoxymethyl(trimethyl)azanium chloride (CID 12769746) is butoxymethyl(trimethyl)azanium chloride.
What is the SMILES notation for butoxymethyl(trimethyl)azanium chloride?
The canonical SMILES for butoxymethyl(trimethyl)azanium chloride is CCCCOC[N+](C)(C)C.[Cl-].
What is the InChIKey of butoxymethyl(trimethyl)azanium chloride?
The InChIKey is JREJKEPDSQGWQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.ClH/c1-5-6-7-10-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of butoxymethyl(trimethyl)azanium chloride?
butoxymethyl(trimethyl)azanium chloride has a molecular weight of 181.71 g/mol, XLogP of -1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethyl(trimethyl)azanium chloride is sourced from PubChem (CID 12769746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).