lithium propan-1-olate

C3H7LiO — CID 23694592

IUPAClithium propan-1-olate
SMILESCCC[O-].[Li+]
InChIInChI=1S/C3H7O.Li/c1-2-3-4;/h2-3H2,1H3;/q-1;+1
InChIKeyMXIRPJHGXWFUAE-UHFFFAOYSA-N
MW66.03 g/mol
LogP-3.24
Rot. Bonds1

About lithium propan-1-olate

lithium propan-1-olate (PubChem CID 23694592) has the molecular formula C3H7LiO and a molecular weight of 66.03 g/mol. Its IUPAC name is lithium propan-1-olate.

Molecular Properties

Compound Namelithium propan-1-olate
PubChem CID23694592
Molecular FormulaC3H7LiO
Molecular Weight66.03 g/mol
Exact Mass66.07
IUPAC Namelithium propan-1-olate
SMILESCCC[O-].[Li+]
InChIInChI=1S/C3H7O.Li/c1-2-3-4;/h2-3H2,1H3;/q-1;+1
InChIKeyMXIRPJHGXWFUAE-UHFFFAOYSA-N
XLogP-3.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.03
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium propan-1-olate 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 propan-1-olate?
The IUPAC name of lithium propan-1-olate (CID 23694592) is lithium propan-1-olate.
What is the SMILES notation for lithium propan-1-olate?
The canonical SMILES for lithium propan-1-olate is CCC[O-].[Li+].
What is the InChIKey of lithium propan-1-olate?
The InChIKey is MXIRPJHGXWFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Li/c1-2-3-4;/h2-3H2,1H3;/q-1;+1.
What are the key properties of lithium propan-1-olate?
lithium propan-1-olate has a molecular weight of 66.03 g/mol, XLogP of -3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propan-1-olate is sourced from PubChem (CID 23694592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).