lithium;hydride;methyl propanoate

C4H9LiO2 — CID 174158387

IUPAClithium;hydride;methyl propanoate
SMILESCCC(=O)OC.[H-].[Li+]
InChIInChI=1S/C4H8O2.Li.H/c1-3-4(5)6-2;;/h3H2,1-2H3;;/q;+1;-1
InChIKeyKOOLKBCQNNAUFK-UHFFFAOYSA-N
MW96.05 g/mol
LogP-2.31
Rot. Bonds1

About lithium;hydride;methyl propanoate

lithium;hydride;methyl propanoate (PubChem CID 174158387) has the molecular formula C4H9LiO2 and a molecular weight of 96.05 g/mol. Its IUPAC name is lithium;hydride;methyl propanoate.

Molecular Properties

Compound Namelithium;hydride;methyl propanoate
PubChem CID174158387
Molecular FormulaC4H9LiO2
Molecular Weight96.05 g/mol
Exact Mass96.08
IUPAC Namelithium;hydride;methyl propanoate
SMILESCCC(=O)OC.[H-].[Li+]
InChIInChI=1S/C4H8O2.Li.H/c1-3-4(5)6-2;;/h3H2,1-2H3;;/q;+1;-1
InChIKeyKOOLKBCQNNAUFK-UHFFFAOYSA-N
XLogP-2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.05
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;methyl propanoate?
The IUPAC name of lithium;hydride;methyl propanoate (CID 174158387) is lithium;hydride;methyl propanoate.
What is the SMILES notation for lithium;hydride;methyl propanoate?
The canonical SMILES for lithium;hydride;methyl propanoate is CCC(=O)OC.[H-].[Li+].
What is the InChIKey of lithium;hydride;methyl propanoate?
The InChIKey is KOOLKBCQNNAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Li.H/c1-3-4(5)6-2;;/h3H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;hydride;methyl propanoate?
lithium;hydride;methyl propanoate has a molecular weight of 96.05 g/mol, XLogP of -2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;methyl propanoate is sourced from PubChem (CID 174158387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).