chlorocopper;3-chloro-3-methylpent-1-yne

C6H9Cl2Cu — CID 160972530

IUPACchlorocopper;3-chloro-3-methylpent-1-yne
SMILESC#CC(C)(Cl)CC.Cl[Cu]
InChIInChI=1S/C6H9Cl.ClH.Cu/c1-4-6(3,7)5-2;;/h1H,5H2,2-3H3;1H;/q;;+1/p-1
InChIKeySYLGLHVOWUIHQH-UHFFFAOYSA-M
MW215.59 g/mol
LogP2.71
Rot. Bonds1

About chlorocopper;3-chloro-3-methylpent-1-yne

chlorocopper;3-chloro-3-methylpent-1-yne (PubChem CID 160972530) has the molecular formula C6H9Cl2Cu and a molecular weight of 215.59 g/mol. Its IUPAC name is chlorocopper;3-chloro-3-methylpent-1-yne.

Molecular Properties

Compound Namechlorocopper;3-chloro-3-methylpent-1-yne
PubChem CID160972530
Molecular FormulaC6H9Cl2Cu
Molecular Weight215.59 g/mol
Exact Mass213.94
IUPAC Namechlorocopper;3-chloro-3-methylpent-1-yne
SMILESC#CC(C)(Cl)CC.Cl[Cu]
InChIInChI=1S/C6H9Cl.ClH.Cu/c1-4-6(3,7)5-2;;/h1H,5H2,2-3H3;1H;/q;;+1/p-1
InChIKeySYLGLHVOWUIHQH-UHFFFAOYSA-M
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

alumane;2,2-dichlorobutane
CID 173433113
3,4,4-trimethylhex-1-yn-3-ol
CID 18962694
3-bromo-3-ethylpent-1-yne
CID 176903718
2-chloro-2-methylbutane;methanol
CID 88619841
4,4-dimethylhex-1-yne
CID 529272
3-ethyl-3-methylpent-4-yn-1-ol
CID 174674831
3,3-dimethylbut-1-yne chloride
CID 131726738
1,1,1-trichloropropane;trihydrochloride
CID 175077591
lithium;2,2-dimethylbutane;hydride
CID 174323452
3,3-dimethylbut-1-yne;pent-1-yne
CID 159623707
methoxy-dimethyl-(3-methylpent-1-yn-3-yl)silane
CID 165180092
methanol;1,1,1-trichloropropane
CID 160733692

Frequently Asked Questions

What is the IUPAC name of chlorocopper;3-chloro-3-methylpent-1-yne?
The IUPAC name of chlorocopper;3-chloro-3-methylpent-1-yne (CID 160972530) is chlorocopper;3-chloro-3-methylpent-1-yne.
What is the SMILES notation for chlorocopper;3-chloro-3-methylpent-1-yne?
The canonical SMILES for chlorocopper;3-chloro-3-methylpent-1-yne is C#CC(C)(Cl)CC.Cl[Cu].
What is the InChIKey of chlorocopper;3-chloro-3-methylpent-1-yne?
The InChIKey is SYLGLHVOWUIHQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9Cl.ClH.Cu/c1-4-6(3,7)5-2;;/h1H,5H2,2-3H3;1H;/q;;+1/p-1.
What are the key properties of chlorocopper;3-chloro-3-methylpent-1-yne?
chlorocopper;3-chloro-3-methylpent-1-yne has a molecular weight of 215.59 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;3-chloro-3-methylpent-1-yne is sourced from PubChem (CID 160972530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).