cobalt;ethynylbenzene

C8H6Co — CID 174831642

IUPACcobalt;ethynylbenzene
SMILESC#Cc1ccccc1.[Co]
InChIInChI=1S/C8H6.Co/c1-2-8-6-4-3-5-7-8;/h1,3-7H;
InChIKeyTUGISFXNUGGQIX-UHFFFAOYSA-N
MW161.07 g/mol
LogP1.67
Rot. Bonds

About cobalt;ethynylbenzene

cobalt;ethynylbenzene (PubChem CID 174831642) has the molecular formula C8H6Co and a molecular weight of 161.07 g/mol. Its IUPAC name is cobalt;ethynylbenzene.

Molecular Properties

Compound Namecobalt;ethynylbenzene
PubChem CID174831642
Molecular FormulaC8H6Co
Molecular Weight161.07 g/mol
Exact Mass160.98
IUPAC Namecobalt;ethynylbenzene
SMILESC#Cc1ccccc1.[Co]
InChIInChI=1S/C8H6.Co/c1-2-8-6-4-3-5-7-8;/h1,3-7H;
InChIKeyTUGISFXNUGGQIX-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,2-13C2)ethynylbenzene
CID 71309164
ethynylbenzene fluoride
CID 139243604
ethynylbenzene;stibane
CID 175292724
ethynylbenzene;molecular nitrogen
CID 174932310
ethynylbenzene;platinum;bis(triphenylphosphanium)
CID 171040973
acetaldehyde;ethynylbenzene
CID 159057248
ethynylbenzene;nitromethane
CID 161408391
ethynylbenzene;propanal
CID 157087629
1-ethynyl-4-(2-phenylethenyl)benzene
CID 71360336
(4-ethynylphenyl)-phenyldiazene
CID 54055735
CID 143970071
CID 143970071
1-bromo-4-methoxybenzene;ethynylbenzene
CID 158646754

Frequently Asked Questions

What is the IUPAC name of cobalt;ethynylbenzene?
The IUPAC name of cobalt;ethynylbenzene (CID 174831642) is cobalt;ethynylbenzene.
What is the SMILES notation for cobalt;ethynylbenzene?
The canonical SMILES for cobalt;ethynylbenzene is C#Cc1ccccc1.[Co].
What is the InChIKey of cobalt;ethynylbenzene?
The InChIKey is TUGISFXNUGGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.Co/c1-2-8-6-4-3-5-7-8;/h1,3-7H;.
What are the key properties of cobalt;ethynylbenzene?
cobalt;ethynylbenzene has a molecular weight of 161.07 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;ethynylbenzene is sourced from PubChem (CID 174831642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).