Lithium pentane-2,4-dione

C5H8LiO2 — CID 86735745

IUPAC—
SMILESCC(=O)CC(C)=O.[Li]
InChIInChI=1S/C5H8O2.Li/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyZADRSPBLAQBZEC-UHFFFAOYSA-N
MW107.06 g/mol
LogP0.17
Rot. Bonds2

About Lithium pentane-2,4-dione

Lithium pentane-2,4-dione (PubChem CID 86735745) has the molecular formula C5H8LiO2 and a molecular weight of 107.06 g/mol.

Molecular Properties

Compound NameLithium pentane-2,4-dione
PubChem CID86735745
Molecular FormulaC5H8LiO2
Molecular Weight107.06 g/mol
Exact Mass107.07
IUPAC Name—
SMILESCC(=O)CC(C)=O.[Li]
InChIInChI=1S/C5H8O2.Li/c1-4(6)3-5(2)7;/h3H2,1-2H3;
InChIKeyZADRSPBLAQBZEC-UHFFFAOYSA-N
XLogP0.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.06
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
CID 15855332
CID 15855332
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
cerium;pentane-2,4-dione;hydrate
CID 86734909

Frequently Asked Questions

What is the IUPAC name of Lithium pentane-2,4-dione?
The IUPAC name of Lithium pentane-2,4-dione (CID 86735745) is not available.
What is the SMILES notation for Lithium pentane-2,4-dione?
The canonical SMILES for Lithium pentane-2,4-dione is CC(=O)CC(C)=O.[Li].
What is the InChIKey of Lithium pentane-2,4-dione?
The InChIKey is ZADRSPBLAQBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Li/c1-4(6)3-5(2)7;/h3H2,1-2H3;.
What are the key properties of Lithium pentane-2,4-dione?
Lithium pentane-2,4-dione has a molecular weight of 107.06 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium pentane-2,4-dione is sourced from PubChem (CID 86735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).