(1-bromo-4-ethyl-2-methylhexyl)benzene

C15H23Br — CID 104846558

IUPAC(1-bromo-4-ethyl-2-methylhexyl)benzene
SMILESCCC(CC)CC(C)C(Br)c1ccccc1
InChIInChI=1S/C15H23Br/c1-4-13(5-2)11-12(3)15(16)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3
InChIKeyZHPRAKYPDQOLBM-UHFFFAOYSA-N
MW283.25 g/mol
LogP5.59
Rot. Bonds6

About (1-bromo-4-ethyl-2-methylhexyl)benzene

(1-bromo-4-ethyl-2-methylhexyl)benzene (PubChem CID 104846558) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is (1-bromo-4-ethyl-2-methylhexyl)benzene.

Molecular Properties

Compound Name(1-bromo-4-ethyl-2-methylhexyl)benzene
PubChem CID104846558
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name(1-bromo-4-ethyl-2-methylhexyl)benzene
SMILESCCC(CC)CC(C)C(Br)c1ccccc1
InChIInChI=1S/C15H23Br/c1-4-13(5-2)11-12(3)15(16)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3
InChIKeyZHPRAKYPDQOLBM-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.59
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 (1-bromo-4-ethyl-2-methylhexyl)benzene?
The IUPAC name of (1-bromo-4-ethyl-2-methylhexyl)benzene (CID 104846558) is (1-bromo-4-ethyl-2-methylhexyl)benzene.
What is the SMILES notation for (1-bromo-4-ethyl-2-methylhexyl)benzene?
The canonical SMILES for (1-bromo-4-ethyl-2-methylhexyl)benzene is CCC(CC)CC(C)C(Br)c1ccccc1.
What is the InChIKey of (1-bromo-4-ethyl-2-methylhexyl)benzene?
The InChIKey is ZHPRAKYPDQOLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-4-13(5-2)11-12(3)15(16)14-9-7-6-8-10-14/h6-10,12-13,15H,4-5,11H2,1-3H3.
What are the key properties of (1-bromo-4-ethyl-2-methylhexyl)benzene?
(1-bromo-4-ethyl-2-methylhexyl)benzene has a molecular weight of 283.25 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4-ethyl-2-methylhexyl)benzene is sourced from PubChem (CID 104846558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).