lithium propan-2-olate

C3H7LiO — CID 23673350

IUPAClithium propan-2-olate
SMILESCC(C)[O-].[Li+]
InChIInChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyHAUKUGBTJXWQMF-UHFFFAOYSA-N
MW66.03 g/mol
LogP-3.24
Rot. Bonds

About lithium propan-2-olate

lithium propan-2-olate (PubChem CID 23673350) has the molecular formula C3H7LiO and a molecular weight of 66.03 g/mol. Its IUPAC name is lithium propan-2-olate.

Molecular Properties

Compound Namelithium propan-2-olate
PubChem CID23673350
Molecular FormulaC3H7LiO
Molecular Weight66.03 g/mol
Exact Mass66.07
IUPAC Namelithium propan-2-olate
SMILESCC(C)[O-].[Li+]
InChIInChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyHAUKUGBTJXWQMF-UHFFFAOYSA-N
XLogP-3.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of lithium propan-2-olate?
The IUPAC name of lithium propan-2-olate (CID 23673350) is lithium propan-2-olate.
What is the SMILES notation for lithium propan-2-olate?
The canonical SMILES for lithium propan-2-olate is CC(C)[O-].[Li+].
What is the InChIKey of lithium propan-2-olate?
The InChIKey is HAUKUGBTJXWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1.
What are the key properties of lithium propan-2-olate?
lithium propan-2-olate has a molecular weight of 66.03 g/mol, XLogP of -3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propan-2-olate is sourced from PubChem (CID 23673350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).