1-butyl-3-propylcyclopenta-1,3-diene;hafnium

C12H19Hf- — CID 173313235

IUPAC1-butyl-3-propylcyclopenta-1,3-diene;hafnium
SMILESCCCCC1=CC(CCC)=[C-]C1.[Hf]
InChIInChI=1S/C12H19.Hf/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h10H,3-7,9H2,1-2H3;/q-1;
InChIKeyIAUKATLVVFHLCV-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.03
Rot. Bonds5

About 1-butyl-3-propylcyclopenta-1,3-diene;hafnium

1-butyl-3-propylcyclopenta-1,3-diene;hafnium (PubChem CID 173313235) has the molecular formula C12H19Hf- and a molecular weight of 341.77 g/mol. Its IUPAC name is 1-butyl-3-propylcyclopenta-1,3-diene;hafnium.

Molecular Properties

Compound Name1-butyl-3-propylcyclopenta-1,3-diene;hafnium
PubChem CID173313235
Molecular FormulaC12H19Hf-
Molecular Weight341.77 g/mol
Exact Mass343.10
IUPAC Name1-butyl-3-propylcyclopenta-1,3-diene;hafnium
SMILESCCCCC1=CC(CCC)=[C-]C1.[Hf]
InChIInChI=1S/C12H19.Hf/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h10H,3-7,9H2,1-2H3;/q-1;
InChIKeyIAUKATLVVFHLCV-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.03
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

bis(1-butyl-3-propylcyclopenta-1,3-diene);carbanide;silylidenetitanium;dihydrochloride
CID 173299518
dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride
CID 158824168
bis(1-butyl-3-propan-2-ylcyclopenta-1,3-diene);carbanide;silylidenetitanium;dihydrochloride
CID 173304769
bis(3-butyl-1-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium;dihydrochloride
CID 173299833
bis(1-tert-butyl-3-propylcyclopenta-1,3-diene);carbanide;silylidenetitanium;dihydrochloride
CID 173304762
carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride
CID 173299524
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
CID 174711388
3-butyl-2H-oxete
CID 141123822
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
1-pentylcyclopropene
CID 159067584
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-propylcyclopenta-1,3-diene;hafnium?
The IUPAC name of 1-butyl-3-propylcyclopenta-1,3-diene;hafnium (CID 173313235) is 1-butyl-3-propylcyclopenta-1,3-diene;hafnium.
What is the SMILES notation for 1-butyl-3-propylcyclopenta-1,3-diene;hafnium?
The canonical SMILES for 1-butyl-3-propylcyclopenta-1,3-diene;hafnium is CCCCC1=CC(CCC)=[C-]C1.[Hf].
What is the InChIKey of 1-butyl-3-propylcyclopenta-1,3-diene;hafnium?
The InChIKey is IAUKATLVVFHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19.Hf/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h10H,3-7,9H2,1-2H3;/q-1;.
What are the key properties of 1-butyl-3-propylcyclopenta-1,3-diene;hafnium?
1-butyl-3-propylcyclopenta-1,3-diene;hafnium has a molecular weight of 341.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-propylcyclopenta-1,3-diene;hafnium is sourced from PubChem (CID 173313235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).