hydrogen carbonate;bis(triethylazanium);formate

C14H34N2O5 — CID 159663993

IUPAChydrogen carbonate;bis(triethylazanium);formate
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])O.O=C[O-]
InChIInChI=1S/2C6H15N.CH2O3.CH2O2/c2*1-4-7(5-2)6-3;2-1(3)4;2-1-3/h2*4-6H2,1-3H3;(H2,2,3,4);1H,(H,2,3)
InChIKeyMTEAKHQNNUAERG-UHFFFAOYSA-N
MW310.44 g/mol
LogP-2.88
Rot. Bonds6

About hydrogen carbonate;bis(triethylazanium);formate

hydrogen carbonate;bis(triethylazanium);formate (PubChem CID 159663993) has the molecular formula C14H34N2O5 and a molecular weight of 310.44 g/mol. Its IUPAC name is hydrogen carbonate;bis(triethylazanium);formate.

Molecular Properties

Compound Namehydrogen carbonate;bis(triethylazanium);formate
PubChem CID159663993
Molecular FormulaC14H34N2O5
Molecular Weight310.44 g/mol
Exact Mass310.25
IUPAC Namehydrogen carbonate;bis(triethylazanium);formate
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])O.O=C[O-]
InChIInChI=1S/2C6H15N.CH2O3.CH2O2/c2*1-4-7(5-2)6-3;2-1(3)4;2-1-3/h2*4-6H2,1-3H3;(H2,2,3,4);1H,(H,2,3)
InChIKeyMTEAKHQNNUAERG-UHFFFAOYSA-N
XLogP-2.88
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-2.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydrogen carbonate;bis(triethylazanium);formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate;triethylazanium
CID 155587187
tris(carboxymethyl)azanium formate
CID 140687997
dizinc;acetate;formate
CID 23296678
potassium;carbonic acid;formate
CID 87495479
diazanium;acetate;formate;hydrate
CID 141398927
dioxido(oxo)titanium;bis(triethylazanium)
CID 88846724
Triethylammonium borohydride
CID 6365648
2-(2-aminoethylamino)ethanol;tris(triethylazanium);triacetate
CID 158624766
4-(diethylazaniumyl)butanoate
CID 38988212
triazanium;ethanolate;formate
CID 141132682
methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)
CID 139142753
phosphenous acid;triethylazanium;hydrate
CID 131728704

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;bis(triethylazanium);formate?
The IUPAC name of hydrogen carbonate;bis(triethylazanium);formate (CID 159663993) is hydrogen carbonate;bis(triethylazanium);formate.
What is the SMILES notation for hydrogen carbonate;bis(triethylazanium);formate?
The canonical SMILES for hydrogen carbonate;bis(triethylazanium);formate is CC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])O.O=C[O-].
What is the InChIKey of hydrogen carbonate;bis(triethylazanium);formate?
The InChIKey is MTEAKHQNNUAERG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.CH2O3.CH2O2/c2*1-4-7(5-2)6-3;2-1(3)4;2-1-3/h2*4-6H2,1-3H3;(H2,2,3,4);1H,(H,2,3).
What are the key properties of hydrogen carbonate;bis(triethylazanium);formate?
hydrogen carbonate;bis(triethylazanium);formate has a molecular weight of 310.44 g/mol, XLogP of -2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;bis(triethylazanium);formate is sourced from PubChem (CID 159663993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).