nickel;propan-1-ol

C3H8NiO — CID 22476953

IUPACnickel;propan-1-ol
SMILESCCCO.[Ni]
InChIInChI=1S/C3H8O.Ni/c1-2-3-4;/h4H,2-3H2,1H3;
InChIKeyCJJVSHFFFMGENK-UHFFFAOYSA-N
MW118.79 g/mol
LogP0.39
Rot. Bonds1

About nickel;propan-1-ol

nickel;propan-1-ol (PubChem CID 22476953) has the molecular formula C3H8NiO and a molecular weight of 118.79 g/mol. Its IUPAC name is nickel;propan-1-ol.

Molecular Properties

Compound Namenickel;propan-1-ol
PubChem CID22476953
Molecular FormulaC3H8NiO
Molecular Weight118.79 g/mol
Exact Mass117.99
IUPAC Namenickel;propan-1-ol
SMILESCCCO.[Ni]
InChIInChI=1S/C3H8O.Ni/c1-2-3-4;/h4H,2-3H2,1H3;
InChIKeyCJJVSHFFFMGENK-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.79
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium;propan-1-ol;iodide
CID 174317067
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Frequently Asked Questions

What is the IUPAC name of nickel;propan-1-ol?
The IUPAC name of nickel;propan-1-ol (CID 22476953) is nickel;propan-1-ol.
What is the SMILES notation for nickel;propan-1-ol?
The canonical SMILES for nickel;propan-1-ol is CCCO.[Ni].
What is the InChIKey of nickel;propan-1-ol?
The InChIKey is CJJVSHFFFMGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.Ni/c1-2-3-4;/h4H,2-3H2,1H3;.
What are the key properties of nickel;propan-1-ol?
nickel;propan-1-ol has a molecular weight of 118.79 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;propan-1-ol is sourced from PubChem (CID 22476953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).