bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium

C9H18NO5+ — CID 59861691

IUPACbis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCOC=O)CCOC=O
InChIInChI=1S/C9H18NO5/c1-10(2-5-11,3-6-14-8-12)4-7-15-9-13/h8-9,11H,2-7H2,1H3/q+1
InChIKeyZWXBDRKHTORZAI-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.23
Rot. Bonds10

About bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium

bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium (PubChem CID 59861691) has the molecular formula C9H18NO5+ and a molecular weight of 220.24 g/mol. Its IUPAC name is bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium.

Molecular Properties

Compound Namebis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
PubChem CID59861691
Molecular FormulaC9H18NO5+
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Namebis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCOC=O)CCOC=O
InChIInChI=1S/C9H18NO5/c1-10(2-5-11,3-6-14-8-12)4-7-15-9-13/h8-9,11H,2-7H2,1H3/q+1
InChIKeyZWXBDRKHTORZAI-UHFFFAOYSA-N
XLogP-1.23
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

formic acid;2-hydroxyethyl-methyl-dipropylazanium
CID 88813564
propan-1-ol;propyl formate
CID 19366236
bis(2-hydroxyethyl)-(2-methoxysulfonyloxyethyl)-methylazanium
CID 87410375
2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium
CID 118298722
2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium
CID 54230784
tris(2-hydroxyethyl)-methylazanium tetrafluoroborate
CID 18442246
2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-methylazanium
CID 170672450
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
bis(2-hexanoyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 87165402
bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844
10-[bis(2-hydroxyethyl)-methylazaniumyl]decyl-bis(2-hydroxyethyl)-methylazanium bromide
CID 54607801

Frequently Asked Questions

What is the IUPAC name of bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium?
The IUPAC name of bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium (CID 59861691) is bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium.
What is the SMILES notation for bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium?
The canonical SMILES for bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium is C[N+](CCO)(CCOC=O)CCOC=O.
What is the InChIKey of bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium?
The InChIKey is ZWXBDRKHTORZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO5/c1-10(2-5-11,3-6-14-8-12)4-7-15-9-13/h8-9,11H,2-7H2,1H3/q+1.
What are the key properties of bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium?
bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium has a molecular weight of 220.24 g/mol, XLogP of -1.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium is sourced from PubChem (CID 59861691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).