3-methylheptane;nickel

C8H18Ni — CID 158967838

IUPAC3-methylheptane;nickel
SMILESCCCCC(C)CC.[Ni]
InChIInChI=1S/C8H18.Ni/c1-4-6-7-8(3)5-2;/h8H,4-7H2,1-3H3;
InChIKeyJNKWVZSYYAXIAR-UHFFFAOYSA-N
MW172.92 g/mol
LogP3.22
Rot. Bonds4

About 3-methylheptane;nickel

3-methylheptane;nickel (PubChem CID 158967838) has the molecular formula C8H18Ni and a molecular weight of 172.92 g/mol. Its IUPAC name is 3-methylheptane;nickel.

Molecular Properties

Compound Name3-methylheptane;nickel
PubChem CID158967838
Molecular FormulaC8H18Ni
Molecular Weight172.92 g/mol
Exact Mass172.08
IUPAC Name3-methylheptane;nickel
SMILESCCCCC(C)CC.[Ni]
InChIInChI=1S/C8H18.Ni/c1-4-6-7-8(3)5-2;/h8H,4-7H2,1-3H3;
InChIKeyJNKWVZSYYAXIAR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.92
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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calcium;hydride;3-methylheptane
CID 174879723
N,N-dimethylmethanamine;3-methylheptane
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3-methylheptane;oxotitanium
CID 174602327
3,11-dimethylpentadecane
CID 58340720
(Z)-but-2-ene;3-methylheptane
CID 155572467
3-methylheptane;2-methylpentane
CID 165405793
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of 3-methylheptane;nickel?
The IUPAC name of 3-methylheptane;nickel (CID 158967838) is 3-methylheptane;nickel.
What is the SMILES notation for 3-methylheptane;nickel?
The canonical SMILES for 3-methylheptane;nickel is CCCCC(C)CC.[Ni].
What is the InChIKey of 3-methylheptane;nickel?
The InChIKey is JNKWVZSYYAXIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.Ni/c1-4-6-7-8(3)5-2;/h8H,4-7H2,1-3H3;.
What are the key properties of 3-methylheptane;nickel?
3-methylheptane;nickel has a molecular weight of 172.92 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptane;nickel is sourced from PubChem (CID 158967838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).