lithium 1-hex-1-ynylcyclohexene

C12H17Li — CID 24767056

IUPAClithium 1-hex-1-ynylcyclohexene
SMILESCCCCC#CC1=[C-]CCCC1.[Li+]
InChIInChI=1S/C12H17.Li/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h2-5,7-8,10H2,1H3;/q-1;+1
InChIKeyAYBLCKBQJCNOKE-UHFFFAOYSA-N
MW168.21 g/mol
LogP0.49
Rot. Bonds2

About lithium 1-hex-1-ynylcyclohexene

lithium 1-hex-1-ynylcyclohexene (PubChem CID 24767056) has the molecular formula C12H17Li and a molecular weight of 168.21 g/mol. Its IUPAC name is lithium 1-hex-1-ynylcyclohexene.

Molecular Properties

Compound Namelithium 1-hex-1-ynylcyclohexene
PubChem CID24767056
Molecular FormulaC12H17Li
Molecular Weight168.21 g/mol
Exact Mass168.15
IUPAC Namelithium 1-hex-1-ynylcyclohexene
SMILESCCCCC#CC1=[C-]CCCC1.[Li+]
InChIInChI=1S/C12H17.Li/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h2-5,7-8,10H2,1H3;/q-1;+1
InChIKeyAYBLCKBQJCNOKE-UHFFFAOYSA-N
XLogP0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hex-1-ynyl-cyclohexene
CID 11147892
1-Ethynyl-2-methylcyclohex-1-ene
CID 12377444
1-Methyl-2-oct-1-ynylcyclobutene
CID 10773623
8-Hept-1-ynyl-9-pentylhexadec-8-en-6,10-diyne
CID 11984056
(7Z)-7,8-dimethyl-7-tetradecene-1,13-diyne
CID 13356668
7-Hex-1-ynyl-8-pentyltetradec-7-en-5,9-diyne
CID 135010410
7-Hex-1-ynyl-8-pentylpentadec-7-en-5,9-diyne
CID 135010414
(Z)-8-hex-1-ynyl-7-pentylpentadec-7-en-5,9-diyne
CID 135010418
(E)-8-hex-1-ynyl-7-pentylpentadec-7-en-5,9-diyne
CID 135010419
8-Hept-1-ynyl-7-pentylpentadec-7-en-5,9-diyne
CID 135010421
(Z)-8-hex-1-ynyl-9-pentylhexadec-8-en-6,10-diyne
CID 135010422
(E)-8-hex-1-ynyl-9-pentylhexadec-8-en-6,10-diyne
CID 135010423

Frequently Asked Questions

What is the IUPAC name of lithium 1-hex-1-ynylcyclohexene?
The IUPAC name of lithium 1-hex-1-ynylcyclohexene (CID 24767056) is lithium 1-hex-1-ynylcyclohexene.
What is the SMILES notation for lithium 1-hex-1-ynylcyclohexene?
The canonical SMILES for lithium 1-hex-1-ynylcyclohexene is CCCCC#CC1=[C-]CCCC1.[Li+].
What is the InChIKey of lithium 1-hex-1-ynylcyclohexene?
The InChIKey is AYBLCKBQJCNOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17.Li/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h2-5,7-8,10H2,1H3;/q-1;+1.
What are the key properties of lithium 1-hex-1-ynylcyclohexene?
lithium 1-hex-1-ynylcyclohexene has a molecular weight of 168.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-hex-1-ynylcyclohexene is sourced from PubChem (CID 24767056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).