lithium 5,5-dimethylhex-1-ene

C8H15Li — CID 174429369

IUPAClithium 5,5-dimethylhex-1-ene
SMILESC=C[CH-]CC(C)(C)C.[Li+]
InChIInChI=1S/C8H15.Li/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/q-1;+1
InChIKeyYCLCLKVUOALGBY-UHFFFAOYSA-N
MW118.15 g/mol
LogP-0.18
Rot. Bonds2

About lithium 5,5-dimethylhex-1-ene

lithium 5,5-dimethylhex-1-ene (PubChem CID 174429369) has the molecular formula C8H15Li and a molecular weight of 118.15 g/mol. Its IUPAC name is lithium 5,5-dimethylhex-1-ene.

Molecular Properties

Compound Namelithium 5,5-dimethylhex-1-ene
PubChem CID174429369
Molecular FormulaC8H15Li
Molecular Weight118.15 g/mol
Exact Mass118.13
IUPAC Namelithium 5,5-dimethylhex-1-ene
SMILESC=C[CH-]CC(C)(C)C.[Li+]
InChIInChI=1S/C8H15.Li/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/q-1;+1
InChIKeyYCLCLKVUOALGBY-UHFFFAOYSA-N
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 5-0.18
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 5,5-dimethylhex-1-ene?
The IUPAC name of lithium 5,5-dimethylhex-1-ene (CID 174429369) is lithium 5,5-dimethylhex-1-ene.
What is the SMILES notation for lithium 5,5-dimethylhex-1-ene?
The canonical SMILES for lithium 5,5-dimethylhex-1-ene is C=C[CH-]CC(C)(C)C.[Li+].
What is the InChIKey of lithium 5,5-dimethylhex-1-ene?
The InChIKey is YCLCLKVUOALGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.Li/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/q-1;+1.
What are the key properties of lithium 5,5-dimethylhex-1-ene?
lithium 5,5-dimethylhex-1-ene has a molecular weight of 118.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5,5-dimethylhex-1-ene is sourced from PubChem (CID 174429369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).