lithium 3-hydroxypropan-1-olate

C3H7LiO2 — CID 175741891

IUPAClithium 3-hydroxypropan-1-olate
SMILES[Li+].[O-]CCCO
InChIInChI=1S/C3H7O2.Li/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1
InChIKeyCUYYAXXXIPYXTK-UHFFFAOYSA-N
MW82.03 g/mol
LogP-4.27
Rot. Bonds2

About lithium 3-hydroxypropan-1-olate

lithium 3-hydroxypropan-1-olate (PubChem CID 175741891) has the molecular formula C3H7LiO2 and a molecular weight of 82.03 g/mol. Its IUPAC name is lithium 3-hydroxypropan-1-olate.

Molecular Properties

Compound Namelithium 3-hydroxypropan-1-olate
PubChem CID175741891
Molecular FormulaC3H7LiO2
Molecular Weight82.03 g/mol
Exact Mass82.06
IUPAC Namelithium 3-hydroxypropan-1-olate
SMILES[Li+].[O-]CCCO
InChIInChI=1S/C3H7O2.Li/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1
InChIKeyCUYYAXXXIPYXTK-UHFFFAOYSA-N
XLogP-4.27
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.03
LogP ≤ 5-4.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 3-hydroxypropan-1-olate?
The IUPAC name of lithium 3-hydroxypropan-1-olate (CID 175741891) is lithium 3-hydroxypropan-1-olate.
What is the SMILES notation for lithium 3-hydroxypropan-1-olate?
The canonical SMILES for lithium 3-hydroxypropan-1-olate is [Li+].[O-]CCCO.
What is the InChIKey of lithium 3-hydroxypropan-1-olate?
The InChIKey is CUYYAXXXIPYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Li/c4-2-1-3-5;/h4H,1-3H2;/q-1;+1.
What are the key properties of lithium 3-hydroxypropan-1-olate?
lithium 3-hydroxypropan-1-olate has a molecular weight of 82.03 g/mol, XLogP of -4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-hydroxypropan-1-olate is sourced from PubChem (CID 175741891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).