lithium;butane;formaldehyde

C5H11LiO — CID 174599553

IUPAClithium;butane;formaldehyde
SMILESC=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.CH2O.Li/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2;/q-1;;+1
InChIKeyGAVGOPAAHMUYFM-UHFFFAOYSA-N
MW94.08 g/mol
LogP-1.56
Rot. Bonds1

About lithium;butane;formaldehyde

lithium;butane;formaldehyde (PubChem CID 174599553) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium;butane;formaldehyde.

Molecular Properties

Compound Namelithium;butane;formaldehyde
PubChem CID174599553
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium;butane;formaldehyde
SMILESC=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.CH2O.Li/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2;/q-1;;+1
InChIKeyGAVGOPAAHMUYFM-UHFFFAOYSA-N
XLogP-1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;butane;formaldehyde?
The IUPAC name of lithium;butane;formaldehyde (CID 174599553) is lithium;butane;formaldehyde.
What is the SMILES notation for lithium;butane;formaldehyde?
The canonical SMILES for lithium;butane;formaldehyde is C=O.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;formaldehyde?
The InChIKey is GAVGOPAAHMUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.CH2O.Li/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2;/q-1;;+1.
What are the key properties of lithium;butane;formaldehyde?
lithium;butane;formaldehyde has a molecular weight of 94.08 g/mol, XLogP of -1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;formaldehyde is sourced from PubChem (CID 174599553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).