cycloheptylidenezirconium(2+)

C7H12Zr+2 — CID 87101700

IUPACcycloheptylidenezirconium(2+)
SMILES[Zr+2]=C1CCCCCC1
InChIInChI=1S/C7H12.Zr/c1-2-4-6-7-5-3-1;/h1-6H2;/q;+2
InChIKeyUJROCXBUMIKTGR-UHFFFAOYSA-N
MW187.40 g/mol
LogP2.06
Rot. Bonds

About cycloheptylidenezirconium(2+)

cycloheptylidenezirconium(2+) (PubChem CID 87101700) has the molecular formula C7H12Zr+2 and a molecular weight of 187.40 g/mol. Its IUPAC name is cycloheptylidenezirconium(2+).

Molecular Properties

Compound Namecycloheptylidenezirconium(2+)
PubChem CID87101700
Molecular FormulaC7H12Zr+2
Molecular Weight187.40 g/mol
Exact Mass186.00
IUPAC Namecycloheptylidenezirconium(2+)
SMILES[Zr+2]=C1CCCCCC1
InChIInChI=1S/C7H12.Zr/c1-2-4-6-7-5-3-1;/h1-6H2;/q;+2
InChIKeyUJROCXBUMIKTGR-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(cyclohexylidenezirconium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 18410029
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
CID 15164275
cycloundecanimine
CID 123912975
bis(cyclohexylidenezirconium(2+));tetrakis(3-propan-2-yl-1H-inden-1-ide);dichloride
CID 22595372
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87137180
cyclotridecane-1,2-dione
CID 67428267
cyclotricosanone
CID 54375596
(1Z)-cyclodecene-1,2-diamine
CID 89062858
cyclododecanone
CID 141308130
1,2-dichlorocyclooctene
CID 56634873
cycloheptanethione
CID 13294349

Frequently Asked Questions

What is the IUPAC name of cycloheptylidenezirconium(2+)?
The IUPAC name of cycloheptylidenezirconium(2+) (CID 87101700) is cycloheptylidenezirconium(2+).
What is the SMILES notation for cycloheptylidenezirconium(2+)?
The canonical SMILES for cycloheptylidenezirconium(2+) is [Zr+2]=C1CCCCCC1.
What is the InChIKey of cycloheptylidenezirconium(2+)?
The InChIKey is UJROCXBUMIKTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.Zr/c1-2-4-6-7-5-3-1;/h1-6H2;/q;+2.
What are the key properties of cycloheptylidenezirconium(2+)?
cycloheptylidenezirconium(2+) has a molecular weight of 187.40 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylidenezirconium(2+) is sourced from PubChem (CID 87101700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).