2-methylpropylidenezirconium(2+)

C4H8Zr+2 — CID 22994667

IUPAC2-methylpropylidenezirconium(2+)
SMILESCC(C)C=[Zr+2]
InChIInChI=1S/C4H8.Zr/c1-4(2)3;/h1,4H,2-3H3;/q;+2
InChIKeyAXAQVAOZRLOYRU-UHFFFAOYSA-N
MW147.33 g/mol
LogP0.99
Rot. Bonds1

About 2-methylpropylidenezirconium(2+)

2-methylpropylidenezirconium(2+) (PubChem CID 22994667) has the molecular formula C4H8Zr+2 and a molecular weight of 147.33 g/mol. Its IUPAC name is 2-methylpropylidenezirconium(2+).

Molecular Properties

Compound Name2-methylpropylidenezirconium(2+)
PubChem CID22994667
Molecular FormulaC4H8Zr+2
Molecular Weight147.33 g/mol
Exact Mass145.97
IUPAC Name2-methylpropylidenezirconium(2+)
SMILESCC(C)C=[Zr+2]
InChIInChI=1S/C4H8.Zr/c1-4(2)3;/h1,4H,2-3H3;/q;+2
InChIKeyAXAQVAOZRLOYRU-UHFFFAOYSA-N
XLogP0.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

argon;2-methylpropane
CID 158681333
2-methylpropanal;zirconium
CID 87321410
2-methylpropanal;titanium
CID 87093638
3-methylbut-1-ene;hydrobromide
CID 158395600
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
methanamine;3-methylbut-1-ene
CID 161011072
chloromethane;2-methylpropanal
CID 145351273
4-methylpent-2-ene
CID 12659
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
hydride;2-methylpropanal;rubidium(1+)
CID 173100636
ethane;ethene;3-methylbut-1-ene
CID 145381296
1-deuterio-2-methylpropan-1-one
CID 158084519

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylidenezirconium(2+)?
The IUPAC name of 2-methylpropylidenezirconium(2+) (CID 22994667) is 2-methylpropylidenezirconium(2+).
What is the SMILES notation for 2-methylpropylidenezirconium(2+)?
The canonical SMILES for 2-methylpropylidenezirconium(2+) is CC(C)C=[Zr+2].
What is the InChIKey of 2-methylpropylidenezirconium(2+)?
The InChIKey is AXAQVAOZRLOYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.Zr/c1-4(2)3;/h1,4H,2-3H3;/q;+2.
What are the key properties of 2-methylpropylidenezirconium(2+)?
2-methylpropylidenezirconium(2+) has a molecular weight of 147.33 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylidenezirconium(2+) is sourced from PubChem (CID 22994667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).