1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium

C14H18Zr — CID 173316758

IUPAC1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
SMILESCCCC(C1=CC=CC1)C1=CC=CC1.[Zr]
InChIInChI=1S/C14H18.Zr/c1-2-7-14(12-8-3-4-9-12)13-10-5-6-11-13;/h3-6,8,10,14H,2,7,9,11H2,1H3;
InChIKeyFMMKKPWDQLIRDC-UHFFFAOYSA-N
MW277.52 g/mol
LogP4.17
Rot. Bonds4

About 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium

1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium (PubChem CID 173316758) has the molecular formula C14H18Zr and a molecular weight of 277.52 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
PubChem CID173316758
Molecular FormulaC14H18Zr
Molecular Weight277.52 g/mol
Exact Mass276.05
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
SMILESCCCC(C1=CC=CC1)C1=CC=CC1.[Zr]
InChIInChI=1S/C14H18.Zr/c1-2-7-14(12-8-3-4-9-12)13-10-5-6-11-13;/h3-6,8,10,14H,2,7,9,11H2,1H3;
InChIKeyFMMKKPWDQLIRDC-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium (CID 173316758) is 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium is CCCC(C1=CC=CC1)C1=CC=CC1.[Zr].
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium?
The InChIKey is FMMKKPWDQLIRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.Zr/c1-2-7-14(12-8-3-4-9-12)13-10-5-6-11-13;/h3-6,8,10,14H,2,7,9,11H2,1H3;.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium?
1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium has a molecular weight of 277.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 173316758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).