1-tert-butylcyclopenta-1,3-diene;dichlorozirconium

C9H14Cl2Zr — CID 175242307

IUPAC1-tert-butylcyclopenta-1,3-diene;dichlorozirconium
SMILESCC(C)(C)C1=CC=CC1.Cl[Zr]Cl
InChIInChI=1S/C9H14.2ClH.Zr/c1-9(2,3)8-6-4-5-7-8;;;/h4-6H,7H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyXEIRTFMJXGUNDZ-UHFFFAOYSA-L
MW284.34 g/mol
LogP4.30
Rot. Bonds

About 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium

1-tert-butylcyclopenta-1,3-diene;dichlorozirconium (PubChem CID 175242307) has the molecular formula C9H14Cl2Zr and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;dichlorozirconium
PubChem CID175242307
Molecular FormulaC9H14Cl2Zr
Molecular Weight284.34 g/mol
Exact Mass281.95
IUPAC Name1-tert-butylcyclopenta-1,3-diene;dichlorozirconium
SMILESCC(C)(C)C1=CC=CC1.Cl[Zr]Cl
InChIInChI=1S/C9H14.2ClH.Zr/c1-9(2,3)8-6-4-5-7-8;;;/h4-6H,7H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyXEIRTFMJXGUNDZ-UHFFFAOYSA-L
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-tert-butyl-5-chlorocyclohexa-1,3-diene
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1-tert-butyl-4-(3-methylpentan-3-yl)cyclohepta-1,3,5-triene
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azanide;1-(2,3,4-trimethylpentan-2-yl)cyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87392267
N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine
CID 175242584
6-tert-butyl-1,2-dihydropyridine
CID 19606121
3-tert-butyl-4H-pyran
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1-(4-tert-butylcyclohepta-1,3,6-trien-1-yl)ethenamine;ethene
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4,4-di(cyclopenta-1,3-dien-1-yl)pentanamide
CID 157445420
cyclopenta-1,3-dien-1-yl-λ2-stannane
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CID 91497487

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium (CID 175242307) is 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium is CC(C)(C)C1=CC=CC1.Cl[Zr]Cl.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium?
The InChIKey is XEIRTFMJXGUNDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14.2ClH.Zr/c1-9(2,3)8-6-4-5-7-8;;;/h4-6H,7H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium?
1-tert-butylcyclopenta-1,3-diene;dichlorozirconium has a molecular weight of 284.34 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;dichlorozirconium is sourced from PubChem (CID 175242307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).