1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium

C15H23Hf- — CID 159836461

IUPAC1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
SMILESC=C(C)C(=C)C.CCCCc1ccc[cH-]1.[Hf]
InChIInChI=1S/C9H13.C6H10.Hf/c1-2-3-6-9-7-4-5-8-9;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;1,3H2,2,4H3;/q-1;;
InChIKeyCRMMHUCPASPJQG-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.88
Rot. Bonds4

About 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium

1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium (PubChem CID 159836461) has the molecular formula C15H23Hf- and a molecular weight of 381.84 g/mol. Its IUPAC name is 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium.

Molecular Properties

Compound Name1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
PubChem CID159836461
Molecular FormulaC15H23Hf-
Molecular Weight381.84 g/mol
Exact Mass383.13
IUPAC Name1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
SMILESC=C(C)C(=C)C.CCCCc1ccc[cH-]1.[Hf]
InChIInChI=1S/C9H13.C6H10.Hf/c1-2-3-6-9-7-4-5-8-9;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;1,3H2,2,4H3;/q-1;;
InChIKeyCRMMHUCPASPJQG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
CID 160643326
CID 160643326
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
bis(3-cyclopenta-1,3-dien-1-ylpropyl(diphenyl)phosphane);iron(2+)
CID 159314946
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
CID 175736486
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium?
The IUPAC name of 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium (CID 159836461) is 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium.
What is the SMILES notation for 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium?
The canonical SMILES for 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium is C=C(C)C(=C)C.CCCCc1ccc[cH-]1.[Hf].
What is the InChIKey of 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium?
The InChIKey is CRMMHUCPASPJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C6H10.Hf/c1-2-3-6-9-7-4-5-8-9;1-5(2)6(3)4;/h4-5,7-8H,2-3,6H2,1H3;1,3H2,2,4H3;/q-1;;.
What are the key properties of 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium?
1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium has a molecular weight of 381.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium is sourced from PubChem (CID 159836461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).