benzene;nickel;hydrate

C6H8NiO — CID 160922925

IUPACbenzene;nickel;hydrate
SMILESO.[Ni].c1ccccc1
InChIInChI=1S/C6H6.Ni.H2O/c1-2-4-6-5-3-1;;/h1-6H;;1H2
InChIKeyHYUGRNGUDBASCY-UHFFFAOYSA-N
MW154.82 g/mol
LogP0.86
Rot. Bonds

About benzene;nickel;hydrate

benzene;nickel;hydrate (PubChem CID 160922925) has the molecular formula C6H8NiO and a molecular weight of 154.82 g/mol. Its IUPAC name is benzene;nickel;hydrate.

Molecular Properties

Compound Namebenzene;nickel;hydrate
PubChem CID160922925
Molecular FormulaC6H8NiO
Molecular Weight154.82 g/mol
Exact Mass153.99
IUPAC Namebenzene;nickel;hydrate
SMILESO.[Ni].c1ccccc1
InChIInChI=1S/C6H6.Ni.H2O/c1-2-4-6-5-3-1;;/h1-6H;;1H2
InChIKeyHYUGRNGUDBASCY-UHFFFAOYSA-N
XLogP0.86
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.82
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;nickel;hydrate?
The IUPAC name of benzene;nickel;hydrate (CID 160922925) is benzene;nickel;hydrate.
What is the SMILES notation for benzene;nickel;hydrate?
The canonical SMILES for benzene;nickel;hydrate is O.[Ni].c1ccccc1.
What is the InChIKey of benzene;nickel;hydrate?
The InChIKey is HYUGRNGUDBASCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Ni.H2O/c1-2-4-6-5-3-1;;/h1-6H;;1H2.
What are the key properties of benzene;nickel;hydrate?
benzene;nickel;hydrate has a molecular weight of 154.82 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;nickel;hydrate is sourced from PubChem (CID 160922925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).