2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene

C15H18Br2 — CID 163112877

IUPAC2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene
SMILESCc1ccc([C@]2(C)CC/C(=C/Br)[C@@H]2C)cc1Br
InChIInChI=1S/C15H18Br2/c1-10-4-5-13(8-14(10)17)15(3)7-6-12(9-16)11(15)2/h4-5,8-9,11H,6-7H2,1-3H3/b12-9-/t11-,15+/m0/s1
InChIKeyQZOZKGBLDKKGGO-DJWLAJMSSA-N
MW358.12 g/mol
LogP5.72
Rot. Bonds1

About 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene

2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene (PubChem CID 163112877) has the molecular formula C15H18Br2 and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene
PubChem CID163112877
Molecular FormulaC15H18Br2
Molecular Weight358.12 g/mol
Exact Mass355.98
IUPAC Name2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene
SMILESCc1ccc([C@]2(C)CC/C(=C/Br)[C@@H]2C)cc1Br
InChIInChI=1S/C15H18Br2/c1-10-4-5-13(8-14(10)17)15(3)7-6-12(9-16)11(15)2/h4-5,8-9,11H,6-7H2,1-3H3/b12-9-/t11-,15+/m0/s1
InChIKeyQZOZKGBLDKKGGO-DJWLAJMSSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.12
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene (CID 163112877) is 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene is Cc1ccc([C@]2(C)CC/C(=C/Br)[C@@H]2C)cc1Br.
What is the InChIKey of 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene?
The InChIKey is QZOZKGBLDKKGGO-DJWLAJMSSA-N. The full InChI is InChI=1S/C15H18Br2/c1-10-4-5-13(8-14(10)17)15(3)7-6-12(9-16)11(15)2/h4-5,8-9,11H,6-7H2,1-3H3/b12-9-/t11-,15+/m0/s1.
What are the key properties of 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene?
2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene has a molecular weight of 358.12 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene is sourced from PubChem (CID 163112877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).