hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene

C9H13Hf- — CID 174617018

IUPAChafnium;2-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCC(C)CC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C9H13.Hf/c1-8(2)7-9-5-3-4-6-9;/h3,5,8H,4,7H2,1-2H3;/q-1;
InChIKeyHHTCJWQWDIMVIB-UHFFFAOYSA-N
MW299.69 g/mol
LogP2.72
Rot. Bonds2

About hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene

hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene (PubChem CID 174617018) has the molecular formula C9H13Hf- and a molecular weight of 299.69 g/mol. Its IUPAC name is hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Namehafnium;2-(2-methylpropyl)cyclopenta-1,3-diene
PubChem CID174617018
Molecular FormulaC9H13Hf-
Molecular Weight299.69 g/mol
Exact Mass301.05
IUPAC Namehafnium;2-(2-methylpropyl)cyclopenta-1,3-diene
SMILESCC(C)CC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C9H13.Hf/c1-8(2)7-9-5-3-4-6-9;/h3,5,8H,4,7H2,1-2H3;/q-1;
InChIKeyHHTCJWQWDIMVIB-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 52.72
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

2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;dihydrobromide
CID 174700866
2-(2-methylpropyl)cyclopenta-1,3-diene;zirconium;hydrochloride
CID 174759032
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium;hydrochloride
CID 174945783
2-(2-methylpropyl)cyclopenta-1,3-diene;titanium(3+);dibromide
CID 174700864
bis(2-(2-methylpropyl)cyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87195853
butane;bis(2-(2-methylpropyl)cyclopenta-1,3-diene);zirconium(2+)
CID 173239906
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
CID 174711388
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812

Frequently Asked Questions

What is the IUPAC name of hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene?
The IUPAC name of hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene (CID 174617018) is hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene.
What is the SMILES notation for hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene?
The canonical SMILES for hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene is CC(C)CC1=[C-]CC=C1.[Hf].
What is the InChIKey of hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene?
The InChIKey is HHTCJWQWDIMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.Hf/c1-8(2)7-9-5-3-4-6-9;/h3,5,8H,4,7H2,1-2H3;/q-1;.
What are the key properties of hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene?
hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene has a molecular weight of 299.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-(2-methylpropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 174617018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).