5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide

C18H20Hf-2 — CID 154419995

IUPAC5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide
SMILESCCCC[c-]1cccc1.[Hf].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-3-6-9-7-4-5-8-9;/h1-7H;4-5,7-8H,2-3,6H2,1H3;/q2*-1;
InChIKeyYNYBZQBVKMCMMV-UHFFFAOYSA-N
MW414.85 g/mol
LogP5.30
Rot. Bonds3

About 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide

5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide (PubChem CID 154419995) has the molecular formula C18H20Hf-2 and a molecular weight of 414.85 g/mol. Its IUPAC name is 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide.

Molecular Properties

Compound Name5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide
PubChem CID154419995
Molecular FormulaC18H20Hf-2
Molecular Weight414.85 g/mol
Exact Mass416.10
IUPAC Name5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide
SMILESCCCC[c-]1cccc1.[Hf].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C9H13.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-3-6-9-7-4-5-8-9;/h1-7H;4-5,7-8H,2-3,6H2,1H3;/q2*-1;
InChIKeyYNYBZQBVKMCMMV-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanolate;hafnium;1H-inden-1-ide
CID 159970065
1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 161121876
CID 87205203
CID 87205203
CID 173265041
CID 173265041
tris(dipropylazanide);1H-inden-1-ide;titanium(4+)
CID 158782041
CID 173046303
CID 173046303
CID 173020182
CID 173020182
5-butylcyclopenta-1,3-diene;zirconium(3+);difluoride
CID 158815990
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The IUPAC name of 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide (CID 154419995) is 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide.
What is the SMILES notation for 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The canonical SMILES for 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide is CCCC[c-]1cccc1.[Hf].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The InChIKey is YNYBZQBVKMCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C9H13.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-3-6-9-7-4-5-8-9;/h1-7H;4-5,7-8H,2-3,6H2,1H3;/q2*-1;.
What are the key properties of 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide has a molecular weight of 414.85 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide is sourced from PubChem (CID 154419995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).