lithium;zinc;ethane;hex-1-yne

C10H19LiZn — CID 135056650

IUPAClithium;zinc;ethane;hex-1-yne
SMILES[C-]#CCCCC.[CH2-]C.[CH2-]C.[Li+].[Zn+2]
InChIInChI=1S/C6H9.2C2H5.Li.Zn/c1-3-5-6-4-2;2*1-2;;/h3,5-6H2,1H3;2*1H2,2H3;;/q3*-1;+1;+2
InChIKeyUYPWKXUAOFSGLD-UHFFFAOYSA-N
MW211.59 g/mol
LogP0.45
Rot. Bonds2

About lithium;zinc;ethane;hex-1-yne

lithium;zinc;ethane;hex-1-yne (PubChem CID 135056650) has the molecular formula C10H19LiZn and a molecular weight of 211.59 g/mol. Its IUPAC name is lithium;zinc;ethane;hex-1-yne.

Molecular Properties

Compound Namelithium;zinc;ethane;hex-1-yne
PubChem CID135056650
Molecular FormulaC10H19LiZn
Molecular Weight211.59 g/mol
Exact Mass210.09
IUPAC Namelithium;zinc;ethane;hex-1-yne
SMILES[C-]#CCCCC.[CH2-]C.[CH2-]C.[Li+].[Zn+2]
InChIInChI=1S/C6H9.2C2H5.Li.Zn/c1-3-5-6-4-2;2*1-2;;/h3,5-6H2,1H3;2*1H2,2H3;;/q3*-1;+1;+2
InChIKeyUYPWKXUAOFSGLD-UHFFFAOYSA-N
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.59
LogP ≤ 50.45
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

zinc;hex-1-yne;chloride
CID 171374653
sodium oct-1-yne
CID 12517559
oct-1-yne;trichlorotitanium(1+)
CID 134995198
magnesium;ethene;non-1-yne;hydrochloride
CID 88652813
magnesium;butane;pent-1-yne
CID 78060788
pentadeca-5,10-diyne
CID 15530767
zinc pentane
CID 19065630
potassium;ethane;methane;pentane
CID 158388722
tetralithium;hexane;hydride
CID 174784043
tetradeca-4,9-diyne
CID 173328648
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178

Frequently Asked Questions

What is the IUPAC name of lithium;zinc;ethane;hex-1-yne?
The IUPAC name of lithium;zinc;ethane;hex-1-yne (CID 135056650) is lithium;zinc;ethane;hex-1-yne.
What is the SMILES notation for lithium;zinc;ethane;hex-1-yne?
The canonical SMILES for lithium;zinc;ethane;hex-1-yne is [C-]#CCCCC.[CH2-]C.[CH2-]C.[Li+].[Zn+2].
What is the InChIKey of lithium;zinc;ethane;hex-1-yne?
The InChIKey is UYPWKXUAOFSGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.2C2H5.Li.Zn/c1-3-5-6-4-2;2*1-2;;/h3,5-6H2,1H3;2*1H2,2H3;;/q3*-1;+1;+2.
What are the key properties of lithium;zinc;ethane;hex-1-yne?
lithium;zinc;ethane;hex-1-yne has a molecular weight of 211.59 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;zinc;ethane;hex-1-yne is sourced from PubChem (CID 135056650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).