heptane;nickel

C7H16Ni — CID 172769107

IUPACheptane;nickel
SMILESCCCCCCC.[Ni]
InChIInChI=1S/C7H16.Ni/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;
InChIKeyMSDIQJJGPKZABR-UHFFFAOYSA-N
MW158.90 g/mol
LogP2.97
Rot. Bonds4

About heptane;nickel

heptane;nickel (PubChem CID 172769107) has the molecular formula C7H16Ni and a molecular weight of 158.90 g/mol. Its IUPAC name is heptane;nickel.

Molecular Properties

Compound Nameheptane;nickel
PubChem CID172769107
Molecular FormulaC7H16Ni
Molecular Weight158.90 g/mol
Exact Mass158.06
IUPAC Nameheptane;nickel
SMILESCCCCCCC.[Ni]
InChIInChI=1S/C7H16.Ni/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;
InChIKeyMSDIQJJGPKZABR-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.90
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of heptane;nickel?
The IUPAC name of heptane;nickel (CID 172769107) is heptane;nickel.
What is the SMILES notation for heptane;nickel?
The canonical SMILES for heptane;nickel is CCCCCCC.[Ni].
What is the InChIKey of heptane;nickel?
The InChIKey is MSDIQJJGPKZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.Ni/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;.
What are the key properties of heptane;nickel?
heptane;nickel has a molecular weight of 158.90 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;nickel is sourced from PubChem (CID 172769107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).