tert-butylbenzene;dichlorozirconium

C10H13Cl2Zr- — CID 174050820

IUPACtert-butylbenzene;dichlorozirconium
SMILESCC(C)(C)c1cc[c-]cc1.Cl[Zr]Cl
InChIInChI=1S/C10H13.2ClH.Zr/c1-10(2,3)9-7-5-4-6-8-9;;;/h5-8H,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyCPQAZSDFISPWJK-UHFFFAOYSA-L
MW295.34 g/mol
LogP4.16
Rot. Bonds

About tert-butylbenzene;dichlorozirconium

tert-butylbenzene;dichlorozirconium (PubChem CID 174050820) has the molecular formula C10H13Cl2Zr- and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butylbenzene;dichlorozirconium.

Molecular Properties

Compound Nametert-butylbenzene;dichlorozirconium
PubChem CID174050820
Molecular FormulaC10H13Cl2Zr-
Molecular Weight295.34 g/mol
Exact Mass292.94
IUPAC Nametert-butylbenzene;dichlorozirconium
SMILESCC(C)(C)c1cc[c-]cc1.Cl[Zr]Cl
InChIInChI=1S/C10H13.2ClH.Zr/c1-10(2,3)9-7-5-4-6-8-9;;;/h5-8H,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyCPQAZSDFISPWJK-UHFFFAOYSA-L
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.16
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

magnesium bis(tert-butylbenzene)
CID 15646340
tert-butylbenzene;ruthenium(1+)
CID 151873538
tert-butylbenzene;zinc;hydrobromide
CID 87245923
dilithium;2-phenylpropan-2-ylbenzene
CID 19046614
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
carbanide;einsteinium;trifluoromethylbenzene
CID 162562480
zinc;trifluoromethylbenzene;bromide
CID 171000038
tert-butylbenzene;chloromethane;ethane
CID 91149652
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002157
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide
CID 162045592

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;dichlorozirconium?
The IUPAC name of tert-butylbenzene;dichlorozirconium (CID 174050820) is tert-butylbenzene;dichlorozirconium.
What is the SMILES notation for tert-butylbenzene;dichlorozirconium?
The canonical SMILES for tert-butylbenzene;dichlorozirconium is CC(C)(C)c1cc[c-]cc1.Cl[Zr]Cl.
What is the InChIKey of tert-butylbenzene;dichlorozirconium?
The InChIKey is CPQAZSDFISPWJK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13.2ClH.Zr/c1-10(2,3)9-7-5-4-6-8-9;;;/h5-8H,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of tert-butylbenzene;dichlorozirconium?
tert-butylbenzene;dichlorozirconium has a molecular weight of 295.34 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;dichlorozirconium is sourced from PubChem (CID 174050820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).