ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride

C8H13ClHf-2 — CID 174356034

IUPACethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
SMILESCC1=[C-]CC=C1.Cl.[CH2-]C.[Hf]
InChIInChI=1S/C6H7.C2H5.ClH.Hf/c1-6-4-2-3-5-6;1-2;;/h2,4H,3H2,1H3;1H2,2H3;1H;/q2*-1;;
InChIKeyLJQCOAKOSUDGIX-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.96
Rot. Bonds

About ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride

ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride (PubChem CID 174356034) has the molecular formula C8H13ClHf-2 and a molecular weight of 323.14 g/mol. Its IUPAC name is ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride.

Molecular Properties

Compound Nameethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
PubChem CID174356034
Molecular FormulaC8H13ClHf-2
Molecular Weight323.14 g/mol
Exact Mass324.02
IUPAC Nameethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
SMILESCC1=[C-]CC=C1.Cl.[CH2-]C.[Hf]
InChIInChI=1S/C6H7.C2H5.ClH.Hf/c1-6-4-2-3-5-6;1-2;;/h2,4H,3H2,1H3;1H2,2H3;1H;/q2*-1;;
InChIKeyLJQCOAKOSUDGIX-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.96
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

hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten
CID 87198811
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
CID 173398279
CID 173398279
bis(2-methylcyclopenta-1,3-diene);methylidenetitanium(2+);dihydrochloride
CID 87997780
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663

Frequently Asked Questions

What is the IUPAC name of ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride?
The IUPAC name of ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride (CID 174356034) is ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride.
What is the SMILES notation for ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride?
The canonical SMILES for ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride is CC1=[C-]CC=C1.Cl.[CH2-]C.[Hf].
What is the InChIKey of ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride?
The InChIKey is LJQCOAKOSUDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C2H5.ClH.Hf/c1-6-4-2-3-5-6;1-2;;/h2,4H,3H2,1H3;1H2,2H3;1H;/q2*-1;;.
What are the key properties of ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride?
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride has a molecular weight of 323.14 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride is sourced from PubChem (CID 174356034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).