2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene

C12H16Br2 — CID 174718861

IUPAC2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene
SMILESCc1cc(C)c(CC(Br)Br)c(C)c1C
InChIInChI=1S/C12H16Br2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5,12H,6H2,1-4H3
InChIKeySVOAKSCQIUYWIE-UHFFFAOYSA-N
MW320.07 g/mol
LogP4.58
Rot. Bonds2

About 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene

2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene (PubChem CID 174718861) has the molecular formula C12H16Br2 and a molecular weight of 320.07 g/mol. Its IUPAC name is 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene
PubChem CID174718861
Molecular FormulaC12H16Br2
Molecular Weight320.07 g/mol
Exact Mass317.96
IUPAC Name2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene
SMILESCc1cc(C)c(CC(Br)Br)c(C)c1C
InChIInChI=1S/C12H16Br2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5,12H,6H2,1-4H3
InChIKeySVOAKSCQIUYWIE-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene?
The IUPAC name of 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene (CID 174718861) is 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene.
What is the SMILES notation for 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene?
The canonical SMILES for 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene is Cc1cc(C)c(CC(Br)Br)c(C)c1C.
What is the InChIKey of 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene?
The InChIKey is SVOAKSCQIUYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5,12H,6H2,1-4H3.
What are the key properties of 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene?
2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene has a molecular weight of 320.07 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene is sourced from PubChem (CID 174718861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).