bis(2-methylbuta-1,3-diene);nickel(2+)

C10H14Ni — CID 173162838

IUPACbis(2-methylbuta-1,3-diene);nickel(2+)
SMILES[H]/[C-]=C(/C)C=C.[H]/[C-]=C(/C)C=C.[Ni+2]
InChIInChI=1S/2C5H7.Ni/c2*1-4-5(2)3;/h2*2,4H,1H2,3H3;/q2*-1;+2
InChIKeyZGCBHQOLDUNKMM-UHFFFAOYSA-N
MW192.91 g/mol
LogP3.10
Rot. Bonds2

About bis(2-methylbuta-1,3-diene);nickel(2+)

bis(2-methylbuta-1,3-diene);nickel(2+) (PubChem CID 173162838) has the molecular formula C10H14Ni and a molecular weight of 192.91 g/mol. Its IUPAC name is bis(2-methylbuta-1,3-diene);nickel(2+).

Molecular Properties

Compound Namebis(2-methylbuta-1,3-diene);nickel(2+)
PubChem CID173162838
Molecular FormulaC10H14Ni
Molecular Weight192.91 g/mol
Exact Mass192.04
IUPAC Namebis(2-methylbuta-1,3-diene);nickel(2+)
SMILES[H]/[C-]=C(/C)C=C.[H]/[C-]=C(/C)C=C.[Ni+2]
InChIInChI=1S/2C5H7.Ni/c2*1-4-5(2)3;/h2*2,4H,1H2,3H3;/q2*-1;+2
InChIKeyZGCBHQOLDUNKMM-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.91
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze bis(2-methylbuta-1,3-diene);nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
CID 140525116
2-methylprop-2-enoic acid;prop-1-ene;zinc
CID 174795335
CID 76549260
CID 76549260
3,4-dimethylpenta-1,3-diene
CID 6713443
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225
tris(but-3-en-2-one);tungsten
CID 54606302
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
but-3-en-2-one;hydrochloride
CID 172746503
cyclopenta-1,3-diene;2-methylpenta-1,3-diene;titanium(2+)
CID 173337087
tris(dimethylazanide);3-methylpenta-1,3-diene;penta-1,3-diene;titanium(4+)
CID 159129204
[3-[(3E)-5-methylhexa-1,3,5-trien-3-yl]phenyl]-phenylmethanone
CID 167178533

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbuta-1,3-diene);nickel(2+)?
The IUPAC name of bis(2-methylbuta-1,3-diene);nickel(2+) (CID 173162838) is bis(2-methylbuta-1,3-diene);nickel(2+).
What is the SMILES notation for bis(2-methylbuta-1,3-diene);nickel(2+)?
The canonical SMILES for bis(2-methylbuta-1,3-diene);nickel(2+) is [H]/[C-]=C(/C)C=C.[H]/[C-]=C(/C)C=C.[Ni+2].
What is the InChIKey of bis(2-methylbuta-1,3-diene);nickel(2+)?
The InChIKey is ZGCBHQOLDUNKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7.Ni/c2*1-4-5(2)3;/h2*2,4H,1H2,3H3;/q2*-1;+2.
What are the key properties of bis(2-methylbuta-1,3-diene);nickel(2+)?
bis(2-methylbuta-1,3-diene);nickel(2+) has a molecular weight of 192.91 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbuta-1,3-diene);nickel(2+) is sourced from PubChem (CID 173162838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).