lithium 3,3-dimethylhex-1-ene

C8H15Li — CID 71400930

IUPAClithium 3,3-dimethylhex-1-ene
SMILESC=CC(C)(C)[CH-]CC.[Li+]
InChIInChI=1S/C8H15.Li/c1-5-7-8(3,4)6-2;/h6-7H,2,5H2,1,3-4H3;/q-1;+1
InChIKeySHWDFKGCFXHELU-UHFFFAOYSA-N
MW118.15 g/mol
LogP-0.18
Rot. Bonds3

About lithium 3,3-dimethylhex-1-ene

lithium 3,3-dimethylhex-1-ene (PubChem CID 71400930) has the molecular formula C8H15Li and a molecular weight of 118.15 g/mol. Its IUPAC name is lithium 3,3-dimethylhex-1-ene.

Molecular Properties

Compound Namelithium 3,3-dimethylhex-1-ene
PubChem CID71400930
Molecular FormulaC8H15Li
Molecular Weight118.15 g/mol
Exact Mass118.13
IUPAC Namelithium 3,3-dimethylhex-1-ene
SMILESC=CC(C)(C)[CH-]CC.[Li+]
InChIInChI=1S/C8H15.Li/c1-5-7-8(3,4)6-2;/h6-7H,2,5H2,1,3-4H3;/q-1;+1
InChIKeySHWDFKGCFXHELU-UHFFFAOYSA-N
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-difluorobut-1-ene;propane
CID 143721745
3,3-dimethylpent-1-ene;ethane
CID 142059460
1,3-bis(ethenoxy)-2,2-dimethylpropane
CID 3019753
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
but-1-ene;ethene
CID 19017343
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
lithium 5,5-dimethylhex-1-ene
CID 174429369
3-methylhexa-1,5-diene-3-thiol
CID 123943954
3-aminopent-1-ene-3-thiol
CID 123736018
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
N,3-dimethylpent-1-en-3-amine
CID 123650218
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058

Frequently Asked Questions

What is the IUPAC name of lithium 3,3-dimethylhex-1-ene?
The IUPAC name of lithium 3,3-dimethylhex-1-ene (CID 71400930) is lithium 3,3-dimethylhex-1-ene.
What is the SMILES notation for lithium 3,3-dimethylhex-1-ene?
The canonical SMILES for lithium 3,3-dimethylhex-1-ene is C=CC(C)(C)[CH-]CC.[Li+].
What is the InChIKey of lithium 3,3-dimethylhex-1-ene?
The InChIKey is SHWDFKGCFXHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.Li/c1-5-7-8(3,4)6-2;/h6-7H,2,5H2,1,3-4H3;/q-1;+1.
What are the key properties of lithium 3,3-dimethylhex-1-ene?
lithium 3,3-dimethylhex-1-ene has a molecular weight of 118.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,3-dimethylhex-1-ene is sourced from PubChem (CID 71400930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).