lithium 2,2,4-trimethylhexane

C9H19Li — CID 19358976

IUPAClithium 2,2,4-trimethylhexane
SMILES[CH2-]CC(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C9H19.Li/c1-6-8(2)7-9(3,4)5;/h8H,1,6-7H2,2-5H3;/q-1;+1
InChIKeyRFIURFQQRNHSDO-UHFFFAOYSA-N
MW134.19 g/mol
LogP0.29
Rot. Bonds2

About lithium 2,2,4-trimethylhexane

lithium 2,2,4-trimethylhexane (PubChem CID 19358976) has the molecular formula C9H19Li and a molecular weight of 134.19 g/mol. Its IUPAC name is lithium 2,2,4-trimethylhexane.

Molecular Properties

Compound Namelithium 2,2,4-trimethylhexane
PubChem CID19358976
Molecular FormulaC9H19Li
Molecular Weight134.19 g/mol
Exact Mass134.16
IUPAC Namelithium 2,2,4-trimethylhexane
SMILES[CH2-]CC(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C9H19.Li/c1-6-8(2)7-9(3,4)5;/h8H,1,6-7H2,2-5H3;/q-1;+1
InChIKeyRFIURFQQRNHSDO-UHFFFAOYSA-N
XLogP0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 50.29
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 2,2,4-trimethylhexane?
The IUPAC name of lithium 2,2,4-trimethylhexane (CID 19358976) is lithium 2,2,4-trimethylhexane.
What is the SMILES notation for lithium 2,2,4-trimethylhexane?
The canonical SMILES for lithium 2,2,4-trimethylhexane is [CH2-]CC(C)CC(C)(C)C.[Li+].
What is the InChIKey of lithium 2,2,4-trimethylhexane?
The InChIKey is RFIURFQQRNHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19.Li/c1-6-8(2)7-9(3,4)5;/h8H,1,6-7H2,2-5H3;/q-1;+1.
What are the key properties of lithium 2,2,4-trimethylhexane?
lithium 2,2,4-trimethylhexane has a molecular weight of 134.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2,4-trimethylhexane is sourced from PubChem (CID 19358976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).