cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride

C9H14Cl3Zr-2 — CID 175602961

IUPACcyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
SMILESC[C-](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C5H5.C4H9.3ClH.Zr/c1-2-4-5-3-1;1-4(2)3;;;;/h1-3H,4H2;1-3H3;3*1H;/q2*-1;;;;+3/p-3
InChIKeyPQWDLWWBASAHQV-UHFFFAOYSA-K
MW319.79 g/mol
LogP-6.06
Rot. Bonds

About cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride

cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride (PubChem CID 175602961) has the molecular formula C9H14Cl3Zr-2 and a molecular weight of 319.79 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
PubChem CID175602961
Molecular FormulaC9H14Cl3Zr-2
Molecular Weight319.79 g/mol
Exact Mass316.92
IUPAC Namecyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
SMILESC[C-](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C5H5.C4H9.3ClH.Zr/c1-2-4-5-3-1;1-4(2)3;;;;/h1-3H,4H2;1-3H3;3*1H;/q2*-1;;;;+3/p-3
InChIKeyPQWDLWWBASAHQV-UHFFFAOYSA-K
XLogP-6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 5-6.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;2-methylpropane;platinum(2+)
CID 18961426
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride?
The IUPAC name of cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride (CID 175602961) is cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride is C[C-](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+3].
What is the InChIKey of cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride?
The InChIKey is PQWDLWWBASAHQV-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C4H9.3ClH.Zr/c1-2-4-5-3-1;1-4(2)3;;;;/h1-3H,4H2;1-3H3;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride?
cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride has a molecular weight of 319.79 g/mol, XLogP of -6.06, 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;2-methylpropane;zirconium(3+);trichloride is sourced from PubChem (CID 175602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).