lithium 3-methylbut-1-yne

C5H7Li — CID 11007814

IUPAClithium 3-methylbut-1-yne
SMILES[C-]#CC(C)C.[Li+]
InChIInChI=1S/C5H7.Li/c1-4-5(2)3;/h5H,2-3H3;/q-1;+1
InChIKeySXWJGBGPDCSAII-UHFFFAOYSA-N
MW74.05 g/mol
LogP-1.76
Rot. Bonds

About lithium 3-methylbut-1-yne

lithium 3-methylbut-1-yne (PubChem CID 11007814) has the molecular formula C5H7Li and a molecular weight of 74.05 g/mol. Its IUPAC name is lithium 3-methylbut-1-yne.

Molecular Properties

Compound Namelithium 3-methylbut-1-yne
PubChem CID11007814
Molecular FormulaC5H7Li
Molecular Weight74.05 g/mol
Exact Mass74.07
IUPAC Namelithium 3-methylbut-1-yne
SMILES[C-]#CC(C)C.[Li+]
InChIInChI=1S/C5H7.Li/c1-4-5(2)3;/h5H,2-3H3;/q-1;+1
InChIKeySXWJGBGPDCSAII-UHFFFAOYSA-N
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.05
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium [(2S)-but-3-yn-2-yl] methanesulfonate
CID 177397190
silver 5-methylhexa-1,3-diyne
CID 177393925
lithium tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867151
3,3-difluoroprop-1-yne
CID 101376861
hydron;bis(2-methylpropanenitrile)
CID 174938927
2-methylpropanedinitrile
CID 19425
azane;bis(2-methylpropanenitrile)
CID 146171697
lithium (3R)-3-chlorooct-1-yne
CID 177494929
lithium ethynamine
CID 86144840
CID 162454502
CID 162454502
sodium prop-1-yne
CID 11018800
2-methyl(213C)propane
CID 11240418

Frequently Asked Questions

What is the IUPAC name of lithium 3-methylbut-1-yne?
The IUPAC name of lithium 3-methylbut-1-yne (CID 11007814) is lithium 3-methylbut-1-yne.
What is the SMILES notation for lithium 3-methylbut-1-yne?
The canonical SMILES for lithium 3-methylbut-1-yne is [C-]#CC(C)C.[Li+].
What is the InChIKey of lithium 3-methylbut-1-yne?
The InChIKey is SXWJGBGPDCSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.Li/c1-4-5(2)3;/h5H,2-3H3;/q-1;+1.
What are the key properties of lithium 3-methylbut-1-yne?
lithium 3-methylbut-1-yne has a molecular weight of 74.05 g/mol, XLogP of -1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methylbut-1-yne is sourced from PubChem (CID 11007814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).