1-tert-butyl-4-methylbenzene;dibromozinc

C11H16Br2Zn — CID 174651577

IUPAC1-tert-butyl-4-methylbenzene;dibromozinc
SMILESBr[Zn]Br.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16.2BrH.Zn/c1-9-5-7-10(8-6-9)11(2,3)4;;;/h5-8H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyIRRIAVVGODESQT-UHFFFAOYSA-L
MW373.45 g/mol
LogP4.98
Rot. Bonds

About 1-tert-butyl-4-methylbenzene;dibromozinc

1-tert-butyl-4-methylbenzene;dibromozinc (PubChem CID 174651577) has the molecular formula C11H16Br2Zn and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-tert-butyl-4-methylbenzene;dibromozinc.

Molecular Properties

Compound Name1-tert-butyl-4-methylbenzene;dibromozinc
PubChem CID174651577
Molecular FormulaC11H16Br2Zn
Molecular Weight373.45 g/mol
Exact Mass369.89
IUPAC Name1-tert-butyl-4-methylbenzene;dibromozinc
SMILESBr[Zn]Br.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H16.2BrH.Zn/c1-9-5-7-10(8-6-9)11(2,3)4;;;/h5-8H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyIRRIAVVGODESQT-UHFFFAOYSA-L
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844
1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
CID 162205446
benzenethiol;1-tert-butyl-4-methylbenzene
CID 158168635
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
CID 159374079

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylbenzene;dibromozinc?
The IUPAC name of 1-tert-butyl-4-methylbenzene;dibromozinc (CID 174651577) is 1-tert-butyl-4-methylbenzene;dibromozinc.
What is the SMILES notation for 1-tert-butyl-4-methylbenzene;dibromozinc?
The canonical SMILES for 1-tert-butyl-4-methylbenzene;dibromozinc is Br[Zn]Br.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-methylbenzene;dibromozinc?
The InChIKey is IRRIAVVGODESQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H16.2BrH.Zn/c1-9-5-7-10(8-6-9)11(2,3)4;;;/h5-8H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-tert-butyl-4-methylbenzene;dibromozinc?
1-tert-butyl-4-methylbenzene;dibromozinc has a molecular weight of 373.45 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylbenzene;dibromozinc is sourced from PubChem (CID 174651577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).