hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride

C10H15Cl3Hf — CID 146159670

IUPAChafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C10H15.3ClH.Hf/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGICFOZGMLCYDNB-UHFFFAOYSA-K
MW420.08 g/mol
LogP-6.04
Rot. Bonds

About hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride

hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride (PubChem CID 146159670) has the molecular formula C10H15Cl3Hf and a molecular weight of 420.08 g/mol. Its IUPAC name is hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride.

Molecular Properties

Compound Namehafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride
PubChem CID146159670
Molecular FormulaC10H15Cl3Hf
Molecular Weight420.08 g/mol
Exact Mass419.97
IUPAC Namehafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C10H15.3ClH.Hf/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGICFOZGMLCYDNB-UHFFFAOYSA-K
XLogP-6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.08
LogP ≤ 5-6.04
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

Bis(pentamethylcyclopentadienyl)zirconium dichloride
CID 16058028
Sodium 1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-ide
CID 3650476
Potassium pentamethylcyclopentadienide
CID 10899176
Bis(dichloro(eta5-(pentamethylcyclopentadienyl))rhodium)
CID 71310421
Pentamethylcyclopentadienyliridium dichloride
CID 76030743
1,2,4,5-Tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 134842474
Hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
1,2,3,4,5-Pentamethylcyclopenta-1,3-diene;ruthenium(3+);dichloride
CID 170852888
Bis(pentamethylcyclopentadiene)titanium dichloride
CID 585084
Lithium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 2734133
CID 3845663
CID 3845663
1,2,3,5-Tetramethylcyclopenta-1,3-diene
CID 5069407

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride?
The IUPAC name of hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride (CID 146159670) is hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride.
What is the SMILES notation for hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride?
The canonical SMILES for hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride is Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride?
The InChIKey is GICFOZGMLCYDNB-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3ClH.Hf/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride?
hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride has a molecular weight of 420.08 g/mol, XLogP of -6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichloride is sourced from PubChem (CID 146159670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).