lithium but-1-ene

C4H7Li — CID 11073335

IUPAClithium but-1-ene
SMILESC=CC[CH2-].[Li+]
InChIInChI=1S/C4H7.Li/c1-3-4-2;/h3H,1-2,4H2;/q-1;+1
InChIKeyBGRRBRPIVRCSCB-UHFFFAOYSA-N
MW62.04 g/mol
LogP-1.60
Rot. Bonds1

About lithium but-1-ene

lithium but-1-ene (PubChem CID 11073335) has the molecular formula C4H7Li and a molecular weight of 62.04 g/mol. Its IUPAC name is lithium but-1-ene.

Molecular Properties

Compound Namelithium but-1-ene
PubChem CID11073335
Molecular FormulaC4H7Li
Molecular Weight62.04 g/mol
Exact Mass62.07
IUPAC Namelithium but-1-ene
SMILESC=CC[CH2-].[Li+]
InChIInChI=1S/C4H7.Li/c1-3-4-2;/h3H,1-2,4H2;/q-1;+1
InChIKeyBGRRBRPIVRCSCB-UHFFFAOYSA-N
XLogP-1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.04
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium but-1-ene?
The IUPAC name of lithium but-1-ene (CID 11073335) is lithium but-1-ene.
What is the SMILES notation for lithium but-1-ene?
The canonical SMILES for lithium but-1-ene is C=CC[CH2-].[Li+].
What is the InChIKey of lithium but-1-ene?
The InChIKey is BGRRBRPIVRCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7.Li/c1-3-4-2;/h3H,1-2,4H2;/q-1;+1.
What are the key properties of lithium but-1-ene?
lithium but-1-ene has a molecular weight of 62.04 g/mol, XLogP of -1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium but-1-ene is sourced from PubChem (CID 11073335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).