ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride

C20H23Cl2Hf-3 — CID 158688211

IUPACethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride
SMILESC=C.Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C18H19.C2H4.2ClH.Hf/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;;;/h5-10,17H,1-4H3;1-2H2;2*1H;/q-1;;;;/p-2
InChIKeyMGSRMGPABZGKNS-UHFFFAOYSA-L
MW512.80 g/mol
LogP-0.39
Rot. Bonds1

About ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride

ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride (PubChem CID 158688211) has the molecular formula C20H23Cl2Hf-3 and a molecular weight of 512.80 g/mol. Its IUPAC name is ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride.

Molecular Properties

Compound Nameethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride
PubChem CID158688211
Molecular FormulaC20H23Cl2Hf-3
Molecular Weight512.80 g/mol
Exact Mass513.07
IUPAC Nameethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride
SMILESC=C.Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C18H19.C2H4.2ClH.Hf/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;;;/h5-10,17H,1-4H3;1-2H2;2*1H;/q-1;;;;/p-2
InChIKeyMGSRMGPABZGKNS-UHFFFAOYSA-L
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.80
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride
CID 159935458
ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 154453522
CID 10809432
CID 10809432
CID 119077465
CID 119077465
1-ethenyl-1H-indene;titanium(2+);dichloride
CID 86754272
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-prop-1-en-2-yl-1H-indene
CID 12058678
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736
1H-inden-1-amine
CID 14298803
bis(1H-inden-1-yl)-dimethylsilane
CID 599429

Frequently Asked Questions

What is the IUPAC name of ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride?
The IUPAC name of ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride (CID 158688211) is ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride.
What is the SMILES notation for ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride?
The canonical SMILES for ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride is C=C.Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.[Cl-].[Cl-].[Hf].
What is the InChIKey of ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride?
The InChIKey is MGSRMGPABZGKNS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H19.C2H4.2ClH.Hf/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;;;/h5-10,17H,1-4H3;1-2H2;2*1H;/q-1;;;;/p-2.
What are the key properties of ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride?
ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride has a molecular weight of 512.80 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride is sourced from PubChem (CID 158688211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).