2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium

C10H15Zr- — CID 174595951

IUPAC2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium
SMILESCC(C)CCC1=CC[C-]=C1.[Zr]
InChIInChI=1S/C10H15.Zr/c1-9(2)7-8-10-5-3-4-6-10;/h5-6,9H,3,7-8H2,1-2H3;/q-1;
InChIKeyVFBDWMWAQXJZBN-UHFFFAOYSA-N
MW226.45 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium

2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium (PubChem CID 174595951) has the molecular formula C10H15Zr- and a molecular weight of 226.45 g/mol. Its IUPAC name is 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium
PubChem CID174595951
Molecular FormulaC10H15Zr-
Molecular Weight226.45 g/mol
Exact Mass225.02
IUPAC Name2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium
SMILESCC(C)CCC1=CC[C-]=C1.[Zr]
InChIInChI=1S/C10H15.Zr/c1-9(2)7-8-10-5-3-4-6-10;/h5-6,9H,3,7-8H2,1-2H3;/q-1;
InChIKeyVFBDWMWAQXJZBN-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.45
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium?
The IUPAC name of 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium (CID 174595951) is 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium?
The canonical SMILES for 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium is CC(C)CCC1=CC[C-]=C1.[Zr].
What is the InChIKey of 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium?
The InChIKey is VFBDWMWAQXJZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Zr/c1-9(2)7-8-10-5-3-4-6-10;/h5-6,9H,3,7-8H2,1-2H3;/q-1;.
What are the key properties of 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium?
2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium has a molecular weight of 226.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174595951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).