chloromethyl(trimethoxy)azanium

C4H11ClNO3+ — CID 174710096

IUPACchloromethyl(trimethoxy)azanium
SMILESCO[N+](CCl)(OC)OC
InChIInChI=1S/C4H11ClNO3/c1-7-6(4-5,8-2)9-3/h4H2,1-3H3/q+1
InChIKeyIOGYLJHYWMJHIW-UHFFFAOYSA-N
MW156.59 g/mol
LogP0.68
Rot. Bonds4

About chloromethyl(trimethoxy)azanium

chloromethyl(trimethoxy)azanium (PubChem CID 174710096) has the molecular formula C4H11ClNO3+ and a molecular weight of 156.59 g/mol. Its IUPAC name is chloromethyl(trimethoxy)azanium.

Molecular Properties

Compound Namechloromethyl(trimethoxy)azanium
PubChem CID174710096
Molecular FormulaC4H11ClNO3+
Molecular Weight156.59 g/mol
Exact Mass156.04
IUPAC Namechloromethyl(trimethoxy)azanium
SMILESCO[N+](CCl)(OC)OC
InChIInChI=1S/C4H11ClNO3/c1-7-6(4-5,8-2)9-3/h4H2,1-3H3/q+1
InChIKeyIOGYLJHYWMJHIW-UHFFFAOYSA-N
XLogP0.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chloromethoxy-dimethoxy-methylazanium chloride
CID 160955630
Trimethoxy(methyl)azanium chloride
CID 161184595
Trimethoxy(methyl)azanium;dihydrochloride
CID 174450947
Chloromethyl(trimethoxy)azanium chloride
CID 174710095
Chloromethoxy-dimethoxy-methylazanium
CID 160955631
1-chloro-N,N-dimethoxymethanamine
CID 174552952

Frequently Asked Questions

What is the IUPAC name of chloromethyl(trimethoxy)azanium?
The IUPAC name of chloromethyl(trimethoxy)azanium (CID 174710096) is chloromethyl(trimethoxy)azanium.
What is the SMILES notation for chloromethyl(trimethoxy)azanium?
The canonical SMILES for chloromethyl(trimethoxy)azanium is CO[N+](CCl)(OC)OC.
What is the InChIKey of chloromethyl(trimethoxy)azanium?
The InChIKey is IOGYLJHYWMJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClNO3/c1-7-6(4-5,8-2)9-3/h4H2,1-3H3/q+1.
What are the key properties of chloromethyl(trimethoxy)azanium?
chloromethyl(trimethoxy)azanium has a molecular weight of 156.59 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(trimethoxy)azanium is sourced from PubChem (CID 174710096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).