lithium;2-methylpropane;pentane

C9H21Li — CID 22145938

IUPAClithium;2-methylpropane;pentane
SMILESCCCCC.C[C-](C)C.[Li+]
InChIInChI=1S/C5H12.C4H9.Li/c1-3-5-4-2;1-4(2)3;/h3-5H2,1-2H3;1-3H3;/q;-1;+1
InChIKeyTURHUEKUPVXCHP-UHFFFAOYSA-N
MW136.21 g/mol
LogP0.82
Rot. Bonds2

About lithium;2-methylpropane;pentane

lithium;2-methylpropane;pentane (PubChem CID 22145938) has the molecular formula C9H21Li and a molecular weight of 136.21 g/mol. Its IUPAC name is lithium;2-methylpropane;pentane.

Molecular Properties

Compound Namelithium;2-methylpropane;pentane
PubChem CID22145938
Molecular FormulaC9H21Li
Molecular Weight136.21 g/mol
Exact Mass136.18
IUPAC Namelithium;2-methylpropane;pentane
SMILESCCCCC.C[C-](C)C.[Li+]
InChIInChI=1S/C5H12.C4H9.Li/c1-3-5-4-2;1-4(2)3;/h3-5H2,1-2H3;1-3H3;/q;-1;+1
InChIKeyTURHUEKUPVXCHP-UHFFFAOYSA-N
XLogP0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.21
LogP ≤ 50.82
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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Related Compounds

lithium;hexane;methyl(propan-2-yl)silane
CID 175165127
CID 159411255
CID 159411255
hexadecakis(pentane);dihydrate
CID 173099119
alumane;pentane
CID 173125985
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
methane;pentane;propane
CID 169428492
pentane;zirconium(2+);dichloride
CID 174388697
ethene;pentane
CID 54525676

Frequently Asked Questions

What is the IUPAC name of lithium;2-methylpropane;pentane?
The IUPAC name of lithium;2-methylpropane;pentane (CID 22145938) is lithium;2-methylpropane;pentane.
What is the SMILES notation for lithium;2-methylpropane;pentane?
The canonical SMILES for lithium;2-methylpropane;pentane is CCCCC.C[C-](C)C.[Li+].
What is the InChIKey of lithium;2-methylpropane;pentane?
The InChIKey is TURHUEKUPVXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H9.Li/c1-3-5-4-2;1-4(2)3;/h3-5H2,1-2H3;1-3H3;/q;-1;+1.
What are the key properties of lithium;2-methylpropane;pentane?
lithium;2-methylpropane;pentane has a molecular weight of 136.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-methylpropane;pentane is sourced from PubChem (CID 22145938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).