1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene

C17H24Br2 — CID 107182405

IUPAC1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Br)C2CCCCC2(C)C)c(C)cc1Br
InChIInChI=1S/C17H24Br2/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8H2,1-4H3
InChIKeyPCTFBTNQSYRIBC-UHFFFAOYSA-N
MW388.19 g/mol
LogP6.72
Rot. Bonds2

About 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene

1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene (PubChem CID 107182405) has the molecular formula C17H24Br2 and a molecular weight of 388.19 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
PubChem CID107182405
Molecular FormulaC17H24Br2
Molecular Weight388.19 g/mol
Exact Mass386.02
IUPAC Name1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Br)C2CCCCC2(C)C)c(C)cc1Br
InChIInChI=1S/C17H24Br2/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8H2,1-4H3
InChIKeyPCTFBTNQSYRIBC-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.19
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177827
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182324
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571
1-[bromo-(2,2-dimethylcyclopentyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182325
(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 107189233
3-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dichlorothiophene
CID 107182289
3-bromo-2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-methylthiophene
CID 107182444
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
2,3-dibromo-5-[chloro-(2,2-dimethylcyclohexyl)methyl]thiophene
CID 107182521

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene (CID 107182405) is 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene is Cc1cc(C(Br)C2CCCCC2(C)C)c(C)cc1Br.
What is the InChIKey of 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene?
The InChIKey is PCTFBTNQSYRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2/c1-11-10-15(18)12(2)9-13(11)16(19)14-7-5-6-8-17(14,3)4/h9-10,14,16H,5-8H2,1-4H3.
What are the key properties of 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene?
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene has a molecular weight of 388.19 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene is sourced from PubChem (CID 107182405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).