lithium;hydride;prop-2-enyl hydrogen carbonate

C4H7LiO3 — CID 173018678

IUPAClithium;hydride;prop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O.[H-].[Li+]
InChIInChI=1S/C4H6O3.Li.H/c1-2-3-7-4(5)6;;/h2H,1,3H2,(H,5,6);;/q;+1;-1
InChIKeyBOWAKOYEJOONJH-UHFFFAOYSA-N
MW110.04 g/mol
LogP-2.02
Rot. Bonds2

About lithium;hydride;prop-2-enyl hydrogen carbonate

lithium;hydride;prop-2-enyl hydrogen carbonate (PubChem CID 173018678) has the molecular formula C4H7LiO3 and a molecular weight of 110.04 g/mol. Its IUPAC name is lithium;hydride;prop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Namelithium;hydride;prop-2-enyl hydrogen carbonate
PubChem CID173018678
Molecular FormulaC4H7LiO3
Molecular Weight110.04 g/mol
Exact Mass110.06
IUPAC Namelithium;hydride;prop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O.[H-].[Li+]
InChIInChI=1S/C4H6O3.Li.H/c1-2-3-7-4(5)6;;/h2H,1,3H2,(H,5,6);;/q;+1;-1
InChIKeyBOWAKOYEJOONJH-UHFFFAOYSA-N
XLogP-2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.04
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;hydride;prop-2-enyl hydrogen carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;prop-2-enyl hydrogen carbonate?
The IUPAC name of lithium;hydride;prop-2-enyl hydrogen carbonate (CID 173018678) is lithium;hydride;prop-2-enyl hydrogen carbonate.
What is the SMILES notation for lithium;hydride;prop-2-enyl hydrogen carbonate?
The canonical SMILES for lithium;hydride;prop-2-enyl hydrogen carbonate is C=CCOC(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;prop-2-enyl hydrogen carbonate?
The InChIKey is BOWAKOYEJOONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.Li.H/c1-2-3-7-4(5)6;;/h2H,1,3H2,(H,5,6);;/q;+1;-1.
What are the key properties of lithium;hydride;prop-2-enyl hydrogen carbonate?
lithium;hydride;prop-2-enyl hydrogen carbonate has a molecular weight of 110.04 g/mol, XLogP of -2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;prop-2-enyl hydrogen carbonate is sourced from PubChem (CID 173018678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).