2-hydroxyethoxy-oxo-propoxyazanium

C5H12NO4+ — CID 87233814

IUPAC2-hydroxyethoxy-oxo-propoxyazanium
SMILESCCCO[N+](=O)OCCO
InChIInChI=1S/C5H12NO4/c1-2-4-9-6(8)10-5-3-7/h7H,2-5H2,1H3/q+1
InChIKeyAFCQTQOFLHQZMT-UHFFFAOYSA-N
MW150.15 g/mol
LogP0.03
Rot. Bonds6

About 2-hydroxyethoxy-oxo-propoxyazanium

2-hydroxyethoxy-oxo-propoxyazanium (PubChem CID 87233814) has the molecular formula C5H12NO4+ and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-hydroxyethoxy-oxo-propoxyazanium.

Molecular Properties

Compound Name2-hydroxyethoxy-oxo-propoxyazanium
PubChem CID87233814
Molecular FormulaC5H12NO4+
Molecular Weight150.15 g/mol
Exact Mass150.08
IUPAC Name2-hydroxyethoxy-oxo-propoxyazanium
SMILESCCCO[N+](=O)OCCO
InChIInChI=1S/C5H12NO4/c1-2-4-9-6(8)10-5-3-7/h7H,2-5H2,1H3/q+1
InChIKeyAFCQTQOFLHQZMT-UHFFFAOYSA-N
XLogP0.03
TPSA58.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dihexadecoxy(oxo)azanium
CID 56986039
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
tetrakis(butan-1-ol);oxozirconium
CID 173370140
calcium;hydride;2-propoxyethanol
CID 174734380
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
methyl-propan-2-ylidene-propoxyazanium
CID 123552002
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
methane;pentan-3-yl nitrate;propyl nitrate
CID 158381484
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethoxy-oxo-propoxyazanium?
The IUPAC name of 2-hydroxyethoxy-oxo-propoxyazanium (CID 87233814) is 2-hydroxyethoxy-oxo-propoxyazanium.
What is the SMILES notation for 2-hydroxyethoxy-oxo-propoxyazanium?
The canonical SMILES for 2-hydroxyethoxy-oxo-propoxyazanium is CCCO[N+](=O)OCCO.
What is the InChIKey of 2-hydroxyethoxy-oxo-propoxyazanium?
The InChIKey is AFCQTQOFLHQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4/c1-2-4-9-6(8)10-5-3-7/h7H,2-5H2,1H3/q+1.
What are the key properties of 2-hydroxyethoxy-oxo-propoxyazanium?
2-hydroxyethoxy-oxo-propoxyazanium has a molecular weight of 150.15 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy-oxo-propoxyazanium is sourced from PubChem (CID 87233814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).