lithium 1-(6-iodohex-1-ynyl)cyclohexene

C12H16ILi — CID 24767172

IUPAClithium 1-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=[C-]CCCC1.[Li+]
InChIInChI=1S/C12H16I.Li/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;/h1-3,5-7,9,11H2;/q-1;+1
InChIKeyKENPAJOFHQRIEU-UHFFFAOYSA-N
MW294.10 g/mol
LogP0.90
Rot. Bonds3

About lithium 1-(6-iodohex-1-ynyl)cyclohexene

lithium 1-(6-iodohex-1-ynyl)cyclohexene (PubChem CID 24767172) has the molecular formula C12H16ILi and a molecular weight of 294.10 g/mol. Its IUPAC name is lithium 1-(6-iodohex-1-ynyl)cyclohexene.

Molecular Properties

Compound Namelithium 1-(6-iodohex-1-ynyl)cyclohexene
PubChem CID24767172
Molecular FormulaC12H16ILi
Molecular Weight294.10 g/mol
Exact Mass294.05
IUPAC Namelithium 1-(6-iodohex-1-ynyl)cyclohexene
SMILESICCCCC#CC1=[C-]CCCC1.[Li+]
InChIInChI=1S/C12H16I.Li/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;/h1-3,5-7,9,11H2;/q-1;+1
InChIKeyKENPAJOFHQRIEU-UHFFFAOYSA-N
XLogP0.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Iodoethynyl)cyclohexene
CID 10988113
1,2-Bis(2-iodoethynyl)cyclohexene
CID 101906425
(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
CID 10718132
1-(2-(123I)iodoethynyl)cyclohexene
CID 11390534
1-(6-Iodohex-1-ynyl)cyclohexene
CID 14430055
Lithium 1-hex-1-ynylcyclohexene
CID 24767056
1-Iodo-2-(6-iodohex-1-ynyl)cyclohexene
CID 24767062
1-Hex-1-ynyl-2-iodocyclohexene
CID 24767170
6-Ethyl-5-iodohexadec-5-en-7-yne
CID 71425484
1-(5-Iodopent-1-ynyl)cyclohexene
CID 121218022

Frequently Asked Questions

What is the IUPAC name of lithium 1-(6-iodohex-1-ynyl)cyclohexene?
The IUPAC name of lithium 1-(6-iodohex-1-ynyl)cyclohexene (CID 24767172) is lithium 1-(6-iodohex-1-ynyl)cyclohexene.
What is the SMILES notation for lithium 1-(6-iodohex-1-ynyl)cyclohexene?
The canonical SMILES for lithium 1-(6-iodohex-1-ynyl)cyclohexene is ICCCCC#CC1=[C-]CCCC1.[Li+].
What is the InChIKey of lithium 1-(6-iodohex-1-ynyl)cyclohexene?
The InChIKey is KENPAJOFHQRIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I.Li/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;/h1-3,5-7,9,11H2;/q-1;+1.
What are the key properties of lithium 1-(6-iodohex-1-ynyl)cyclohexene?
lithium 1-(6-iodohex-1-ynyl)cyclohexene has a molecular weight of 294.10 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(6-iodohex-1-ynyl)cyclohexene is sourced from PubChem (CID 24767172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).