dipotassium;ethynylbenzene

C8H4K2 — CID 135081548

IUPACdipotassium;ethynylbenzene
SMILES[C-]#Cc1[c-]cccc1.[K+].[K+]
InChIInChI=1S/C8H4.2K/c1-2-8-6-4-3-5-7-8;;/h3-6H;;/q-2;2*+1
InChIKeyJFGRGQQCUPUKCZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP-4.57
Rot. Bonds

About dipotassium;ethynylbenzene

dipotassium;ethynylbenzene (PubChem CID 135081548) has the molecular formula C8H4K2 and a molecular weight of 178.32 g/mol. Its IUPAC name is dipotassium;ethynylbenzene.

Molecular Properties

Compound Namedipotassium;ethynylbenzene
PubChem CID135081548
Molecular FormulaC8H4K2
Molecular Weight178.32 g/mol
Exact Mass177.96
IUPAC Namedipotassium;ethynylbenzene
SMILES[C-]#Cc1[c-]cccc1.[K+].[K+]
InChIInChI=1S/C8H4.2K/c1-2-8-6-4-3-5-7-8;;/h3-6H;;/q-2;2*+1
InChIKeyJFGRGQQCUPUKCZ-UHFFFAOYSA-N
XLogP-4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 5-4.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dilithium;ethynylbenzene
CID 12696041
7-Methylidenecyclohepta-1,3-dien-5-yne
CID 91074023
p-Ethynyl phenyl lithium
CID 129736740
Ethynylphenylzinc chloride
CID 129814011
(5Z)-5-ethenylnona-1,5,8-trien-3-yne
CID 146167076
Dilithium;ethynylbenzene
CID 13582550
Ethynylbenzene;yttrium
CID 59426720
6-Methylidenecyclohex-1-en-3-yne
CID 72614564
2-[(3E)-hexa-3,5-dien-1-ynyl]-5,6-dimethylidenecyclohexa-1,3-diene
CID 142398110
Potassium ethenylbenzene
CID 143215002
(3Z,9Z)-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
CID 143999658
Potassium ethynylbenzene
CID 145577322

Frequently Asked Questions

What is the IUPAC name of dipotassium;ethynylbenzene?
The IUPAC name of dipotassium;ethynylbenzene (CID 135081548) is dipotassium;ethynylbenzene.
What is the SMILES notation for dipotassium;ethynylbenzene?
The canonical SMILES for dipotassium;ethynylbenzene is [C-]#Cc1[c-]cccc1.[K+].[K+].
What is the InChIKey of dipotassium;ethynylbenzene?
The InChIKey is JFGRGQQCUPUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4.2K/c1-2-8-6-4-3-5-7-8;;/h3-6H;;/q-2;2*+1.
What are the key properties of dipotassium;ethynylbenzene?
dipotassium;ethynylbenzene has a molecular weight of 178.32 g/mol, XLogP of -4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;ethynylbenzene is sourced from PubChem (CID 135081548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).