bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride

C24H38Cl2Hf — CID 87376853

IUPACbis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCCC1=[C-]C(CC)=C(CC)C1.CCCC1=[C-]C(CC)=C(CC)C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H19.2ClH.Hf/c2*1-4-7-10-8-11(5-2)12(6-3)9-10;;;/h2*4-8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUGMFVFCTDSSOOW-UHFFFAOYSA-L
MW575.96 g/mol
LogP2.08
Rot. Bonds8

About bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride

bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride (PubChem CID 87376853) has the molecular formula C24H38Cl2Hf and a molecular weight of 575.96 g/mol. Its IUPAC name is bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride.

Molecular Properties

Compound Namebis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride
PubChem CID87376853
Molecular FormulaC24H38Cl2Hf
Molecular Weight575.96 g/mol
Exact Mass576.18
IUPAC Namebis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride
SMILESCCCC1=[C-]C(CC)=C(CC)C1.CCCC1=[C-]C(CC)=C(CC)C1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H19.2ClH.Hf/c2*1-4-7-10-8-11(5-2)12(6-3)9-10;;;/h2*4-8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUGMFVFCTDSSOOW-UHFFFAOYSA-L
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.96
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The IUPAC name of bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride (CID 87376853) is bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride.
What is the SMILES notation for bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The canonical SMILES for bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride is CCCC1=[C-]C(CC)=C(CC)C1.CCCC1=[C-]C(CC)=C(CC)C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride?
The InChIKey is UGMFVFCTDSSOOW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H19.2ClH.Hf/c2*1-4-7-10-8-11(5-2)12(6-3)9-10;;;/h2*4-8H2,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride?
bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride has a molecular weight of 575.96 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-diethyl-4-propylcyclopenta-1,3-diene);hafnium(4+);dichloride is sourced from PubChem (CID 87376853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).