2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium

C15H20Hf-2 — CID 173380449

IUPAC2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
SMILESCCCCc1cc[c-](C)c1.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C10H15.C5H5.Hf/c1-3-4-5-10-7-6-9(2)8-10;1-2-4-5-3-1;/h6-8H,3-5H2,1-2H3;1-3H,4H2;/q2*-1;
InChIKeyNKKMXKDVTGSVNS-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.36
Rot. Bonds3

About 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium

2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium (PubChem CID 173380449) has the molecular formula C15H20Hf-2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium.

Molecular Properties

Compound Name2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
PubChem CID173380449
Molecular FormulaC15H20Hf-2
Molecular Weight378.82 g/mol
Exact Mass380.10
IUPAC Name2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
SMILESCCCCc1cc[c-](C)c1.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C10H15.C5H5.Hf/c1-3-4-5-10-7-6-9(2)8-10;1-2-4-5-3-1;/h6-8H,3-5H2,1-2H3;1-3H,4H2;/q2*-1;
InChIKeyNKKMXKDVTGSVNS-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.36
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(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
CID 154047489
butane;cyclopenta-1,3-diene;hafnium;trihydrochloride
CID 173097750
carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
1-butyl-2-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
CID 140557001
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium?
The IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium (CID 173380449) is 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium.
What is the SMILES notation for 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium?
The canonical SMILES for 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium is CCCCc1cc[c-](C)c1.[C-]1=CC=CC1.[Hf].
What is the InChIKey of 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium?
The InChIKey is NKKMXKDVTGSVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C5H5.Hf/c1-3-4-5-10-7-6-9(2)8-10;1-2-4-5-3-1;/h6-8H,3-5H2,1-2H3;1-3H,4H2;/q2*-1;.
What are the key properties of 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium?
2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium has a molecular weight of 378.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium is sourced from PubChem (CID 173380449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).