1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene

C15H16Br2 — CID 79837640

IUPAC1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene
SMILESCC(C)(CCBr)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16Br2/c1-15(2,9-10-16)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8H,9-10H2,1-2H3
InChIKeyVTZFZCGAELYNMM-UHFFFAOYSA-N
MW356.10 g/mol
LogP5.66
Rot. Bonds3

About 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene

1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene (PubChem CID 79837640) has the molecular formula C15H16Br2 and a molecular weight of 356.10 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene
PubChem CID79837640
Molecular FormulaC15H16Br2
Molecular Weight356.10 g/mol
Exact Mass353.96
IUPAC Name1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene
SMILESCC(C)(CCBr)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16Br2/c1-15(2,9-10-16)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8H,9-10H2,1-2H3
InChIKeyVTZFZCGAELYNMM-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.10
LogP ≤ 55.66
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-(4-bromo-2-methylbutan-2-yl)naphthalene?
The IUPAC name of 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene (CID 79837640) is 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene.
What is the SMILES notation for 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene?
The canonical SMILES for 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene is CC(C)(CCBr)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene?
The InChIKey is VTZFZCGAELYNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2/c1-15(2,9-10-16)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene?
1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene has a molecular weight of 356.10 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene is sourced from PubChem (CID 79837640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).