tert-butylbenzene;zinc;hydrobromide

C10H14BrZn- — CID 87245923

IUPACtert-butylbenzene;zinc;hydrobromide
SMILESBr.CC(C)(C)c1cc[c-]cc1.[Zn]
InChIInChI=1S/C10H13.BrH.Zn/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;
InChIKeyWURXKXNBZVLZNK-UHFFFAOYSA-N
MW279.52 g/mol
LogP3.36
Rot. Bonds

About tert-butylbenzene;zinc;hydrobromide

tert-butylbenzene;zinc;hydrobromide (PubChem CID 87245923) has the molecular formula C10H14BrZn- and a molecular weight of 279.52 g/mol. Its IUPAC name is tert-butylbenzene;zinc;hydrobromide.

Molecular Properties

Compound Nametert-butylbenzene;zinc;hydrobromide
PubChem CID87245923
Molecular FormulaC10H14BrZn-
Molecular Weight279.52 g/mol
Exact Mass276.96
IUPAC Nametert-butylbenzene;zinc;hydrobromide
SMILESBr.CC(C)(C)c1cc[c-]cc1.[Zn]
InChIInChI=1S/C10H13.BrH.Zn/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;
InChIKeyWURXKXNBZVLZNK-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

magnesium bis(tert-butylbenzene)
CID 15646340
tert-butylbenzene;ruthenium(1+)
CID 151873538
tert-butylbenzene;dichlorozirconium
CID 174050820
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
fluorobenzene;zinc;hydrobromide
CID 87180748
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002157
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;zinc;hydrobromide?
The IUPAC name of tert-butylbenzene;zinc;hydrobromide (CID 87245923) is tert-butylbenzene;zinc;hydrobromide.
What is the SMILES notation for tert-butylbenzene;zinc;hydrobromide?
The canonical SMILES for tert-butylbenzene;zinc;hydrobromide is Br.CC(C)(C)c1cc[c-]cc1.[Zn].
What is the InChIKey of tert-butylbenzene;zinc;hydrobromide?
The InChIKey is WURXKXNBZVLZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.BrH.Zn/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q-1;;.
What are the key properties of tert-butylbenzene;zinc;hydrobromide?
tert-butylbenzene;zinc;hydrobromide has a molecular weight of 279.52 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;zinc;hydrobromide is sourced from PubChem (CID 87245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).