lithium 2-methylbut-2-ene

C5H9Li — CID 11815813

IUPAClithium 2-methylbut-2-ene
SMILES[CH2-]C=C(C)C.[Li+]
InChIInChI=1S/C5H9.Li/c1-4-5(2)3;/h4H,1H2,2-3H3;/q-1;+1
InChIKeyFLWPPPNFFCXTCL-UHFFFAOYSA-N
MW76.07 g/mol
LogP-1.21
Rot. Bonds

About lithium 2-methylbut-2-ene

lithium 2-methylbut-2-ene (PubChem CID 11815813) has the molecular formula C5H9Li and a molecular weight of 76.07 g/mol. Its IUPAC name is lithium 2-methylbut-2-ene.

Molecular Properties

Compound Namelithium 2-methylbut-2-ene
PubChem CID11815813
Molecular FormulaC5H9Li
Molecular Weight76.07 g/mol
Exact Mass76.09
IUPAC Namelithium 2-methylbut-2-ene
SMILES[CH2-]C=C(C)C.[Li+]
InChIInChI=1S/C5H9.Li/c1-4-5(2)3;/h4H,1H2,2-3H3;/q-1;+1
InChIKeyFLWPPPNFFCXTCL-UHFFFAOYSA-N
XLogP-1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-methylbut-2-ene?
The IUPAC name of lithium 2-methylbut-2-ene (CID 11815813) is lithium 2-methylbut-2-ene.
What is the SMILES notation for lithium 2-methylbut-2-ene?
The canonical SMILES for lithium 2-methylbut-2-ene is [CH2-]C=C(C)C.[Li+].
What is the InChIKey of lithium 2-methylbut-2-ene?
The InChIKey is FLWPPPNFFCXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.Li/c1-4-5(2)3;/h4H,1H2,2-3H3;/q-1;+1.
What are the key properties of lithium 2-methylbut-2-ene?
lithium 2-methylbut-2-ene has a molecular weight of 76.07 g/mol, XLogP of -1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylbut-2-ene is sourced from PubChem (CID 11815813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).