cyclopenta-1,3-diene;yttrium;dihydrochloride

C5H8Cl2Y — CID 175000078

IUPACcyclopenta-1,3-diene;yttrium;dihydrochloride
SMILESC1=CCC=C1.Cl.Cl.[Y]
InChIInChI=1S/C5H6.2ClH.Y/c1-2-4-5-3-1;;;/h1-4H,5H2;2*1H;
InChIKeyASHKTHKKUIXURS-UHFFFAOYSA-N
MW227.93 g/mol
LogP2.34
Rot. Bonds

About cyclopenta-1,3-diene;yttrium;dihydrochloride

cyclopenta-1,3-diene;yttrium;dihydrochloride (PubChem CID 175000078) has the molecular formula C5H8Cl2Y and a molecular weight of 227.93 g/mol. Its IUPAC name is cyclopenta-1,3-diene;yttrium;dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;yttrium;dihydrochloride
PubChem CID175000078
Molecular FormulaC5H8Cl2Y
Molecular Weight227.93 g/mol
Exact Mass226.91
IUPAC Namecyclopenta-1,3-diene;yttrium;dihydrochloride
SMILESC1=CCC=C1.Cl.Cl.[Y]
InChIInChI=1S/C5H6.2ClH.Y/c1-2-4-5-3-1;;;/h1-4H,5H2;2*1H;
InChIKeyASHKTHKKUIXURS-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;yttrium;dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;yttrium;dihydrochloride (CID 175000078) is cyclopenta-1,3-diene;yttrium;dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;yttrium;dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;yttrium;dihydrochloride is C1=CCC=C1.Cl.Cl.[Y].
What is the InChIKey of cyclopenta-1,3-diene;yttrium;dihydrochloride?
The InChIKey is ASHKTHKKUIXURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2ClH.Y/c1-2-4-5-3-1;;;/h1-4H,5H2;2*1H;.
What are the key properties of cyclopenta-1,3-diene;yttrium;dihydrochloride?
cyclopenta-1,3-diene;yttrium;dihydrochloride has a molecular weight of 227.93 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;yttrium;dihydrochloride is sourced from PubChem (CID 175000078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).