lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride

C10H13Cl2HfLi-2 — CID 175471487

IUPAClithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride
SMILESCC1=[C-]C(C)C2=C1CCC2.[Cl-].[Cl-].[Hf].[Li+]
InChIInChI=1S/C10H13.2ClH.Hf.Li/c1-7-6-8(2)10-5-3-4-9(7)10;;;;/h7H,3-5H2,1-2H3;2*1H;;/q-1;;;;+1/p-2
InChIKeyJPGGNTHFIYHQBI-UHFFFAOYSA-L
MW389.55 g/mol
LogP-6.12
Rot. Bonds

About lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride

lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride (PubChem CID 175471487) has the molecular formula C10H13Cl2HfLi-2 and a molecular weight of 389.55 g/mol. Its IUPAC name is lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride.

Molecular Properties

Compound Namelithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride
PubChem CID175471487
Molecular FormulaC10H13Cl2HfLi-2
Molecular Weight389.55 g/mol
Exact Mass390.00
IUPAC Namelithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride
SMILESCC1=[C-]C(C)C2=C1CCC2.[Cl-].[Cl-].[Hf].[Li+]
InChIInChI=1S/C10H13.2ClH.Hf.Li/c1-7-6-8(2)10-5-3-4-9(7)10;;;;/h7H,3-5H2,1-2H3;2*1H;;/q-1;;;;+1/p-2
InChIKeyJPGGNTHFIYHQBI-UHFFFAOYSA-L
XLogP-6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 5-6.12
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 lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride?
The IUPAC name of lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride (CID 175471487) is lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride.
What is the SMILES notation for lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride?
The canonical SMILES for lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride is CC1=[C-]C(C)C2=C1CCC2.[Cl-].[Cl-].[Hf].[Li+].
What is the InChIKey of lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride?
The InChIKey is JPGGNTHFIYHQBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13.2ClH.Hf.Li/c1-7-6-8(2)10-5-3-4-9(7)10;;;;/h7H,3-5H2,1-2H3;2*1H;;/q-1;;;;+1/p-2.
What are the key properties of lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride?
lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride has a molecular weight of 389.55 g/mol, XLogP of -6.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium;dichloride is sourced from PubChem (CID 175471487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).