1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride

C12H14ClZr- — CID 87133400

IUPAC1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride
SMILESC[C-](C1=CC=CC1)C1=CC=CC1.Cl.[Zr]
InChIInChI=1S/C12H13.ClH.Zr/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;;/h2-6,8H,7,9H2,1H3;1H;/q-1;;
InChIKeyRHBBFXDQGVDNIX-UHFFFAOYSA-N
MW284.92 g/mol
LogP3.77
Rot. Bonds2

About 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride

1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride (PubChem CID 87133400) has the molecular formula C12H14ClZr- and a molecular weight of 284.92 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride
PubChem CID87133400
Molecular FormulaC12H14ClZr-
Molecular Weight284.92 g/mol
Exact Mass282.98
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride
SMILESC[C-](C1=CC=CC1)C1=CC=CC1.Cl.[Zr]
InChIInChI=1S/C12H13.ClH.Zr/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;;/h2-6,8H,7,9H2,1H3;1H;/q-1;;
InChIKeyRHBBFXDQGVDNIX-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride with MolForge

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Related Compounds

1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride
CID 19973888
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CID 173021155
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hafnium;hydride
CID 173327025
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hydride;titanium
CID 173327010
nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene
CID 173188545
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
di(cyclopenta-1,3-dien-1-yl)methylbenzene;ethanolate;zirconium(4+)
CID 173327045
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride (CID 87133400) is 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride is C[C-](C1=CC=CC1)C1=CC=CC1.Cl.[Zr].
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
The InChIKey is RHBBFXDQGVDNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13.ClH.Zr/c1-10(11-6-2-3-7-11)12-8-4-5-9-12;;/h2-6,8H,7,9H2,1H3;1H;/q-1;;.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride?
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride has a molecular weight of 284.92 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride is sourced from PubChem (CID 87133400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).