lithium 5-methoxy-5-oxopentanoate

C6H9LiO4 — CID 23686643

IUPAClithium 5-methoxy-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)[O-].[Li+]
InChIInChI=1S/C6H10O4.Li/c1-10-6(9)4-2-3-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyYVACGVLJRJXAIV-UHFFFAOYSA-M
MW152.08 g/mol
LogP-3.92
Rot. Bonds4

About lithium 5-methoxy-5-oxopentanoate

lithium 5-methoxy-5-oxopentanoate (PubChem CID 23686643) has the molecular formula C6H9LiO4 and a molecular weight of 152.08 g/mol. Its IUPAC name is lithium 5-methoxy-5-oxopentanoate.

Molecular Properties

Compound Namelithium 5-methoxy-5-oxopentanoate
PubChem CID23686643
Molecular FormulaC6H9LiO4
Molecular Weight152.08 g/mol
Exact Mass152.07
IUPAC Namelithium 5-methoxy-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)[O-].[Li+]
InChIInChI=1S/C6H10O4.Li/c1-10-6(9)4-2-3-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyYVACGVLJRJXAIV-UHFFFAOYSA-M
XLogP-3.92
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 5-3.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methoxy-5-oxopentanoate?
The IUPAC name of lithium 5-methoxy-5-oxopentanoate (CID 23686643) is lithium 5-methoxy-5-oxopentanoate.
What is the SMILES notation for lithium 5-methoxy-5-oxopentanoate?
The canonical SMILES for lithium 5-methoxy-5-oxopentanoate is COC(=O)CCCC(=O)[O-].[Li+].
What is the InChIKey of lithium 5-methoxy-5-oxopentanoate?
The InChIKey is YVACGVLJRJXAIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.Li/c1-10-6(9)4-2-3-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-methoxy-5-oxopentanoate?
lithium 5-methoxy-5-oxopentanoate has a molecular weight of 152.08 g/mol, XLogP of -3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methoxy-5-oxopentanoate is sourced from PubChem (CID 23686643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).