chloromethoxy-dimethoxy-methylazanium

C4H11ClNO3+ — CID 160955631

IUPACchloromethoxy-dimethoxy-methylazanium
SMILESCO[N+](C)(OC)OCCl
InChIInChI=1S/C4H11ClNO3/c1-6(7-2,8-3)9-4-5/h4H2,1-3H3/q+1
InChIKeySWIPORZVXXMKRV-UHFFFAOYSA-N
MW156.59 g/mol
LogP0.68
Rot. Bonds4

About chloromethoxy-dimethoxy-methylazanium

chloromethoxy-dimethoxy-methylazanium (PubChem CID 160955631) has the molecular formula C4H11ClNO3+ and a molecular weight of 156.59 g/mol. Its IUPAC name is chloromethoxy-dimethoxy-methylazanium.

Molecular Properties

Compound Namechloromethoxy-dimethoxy-methylazanium
PubChem CID160955631
Molecular FormulaC4H11ClNO3+
Molecular Weight156.59 g/mol
Exact Mass156.04
IUPAC Namechloromethoxy-dimethoxy-methylazanium
SMILESCO[N+](C)(OC)OCCl
InChIInChI=1S/C4H11ClNO3/c1-6(7-2,8-3)9-4-5/h4H2,1-3H3/q+1
InChIKeySWIPORZVXXMKRV-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': '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
1-chloro-N,N-dimethoxymethanamine
CID 174552952
Chloromethyl(trimethoxy)azanium
CID 174710096

Frequently Asked Questions

What is the IUPAC name of chloromethoxy-dimethoxy-methylazanium?
The IUPAC name of chloromethoxy-dimethoxy-methylazanium (CID 160955631) is chloromethoxy-dimethoxy-methylazanium.
What is the SMILES notation for chloromethoxy-dimethoxy-methylazanium?
The canonical SMILES for chloromethoxy-dimethoxy-methylazanium is CO[N+](C)(OC)OCCl.
What is the InChIKey of chloromethoxy-dimethoxy-methylazanium?
The InChIKey is SWIPORZVXXMKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClNO3/c1-6(7-2,8-3)9-4-5/h4H2,1-3H3/q+1.
What are the key properties of chloromethoxy-dimethoxy-methylazanium?
chloromethoxy-dimethoxy-methylazanium 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 chloromethoxy-dimethoxy-methylazanium is sourced from PubChem (CID 160955631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).