6-bromo-1,1,4,4,7-pentamethylnaphthalene

C15H19Br — CID 10956849

IUPAC6-bromo-1,1,4,4,7-pentamethylnaphthalene
SMILESCc1cc2c(cc1Br)C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H19Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h6-9H,1-5H3
InChIKeyNPVIBWATZCPDIH-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.88
Rot. Bonds

About 6-bromo-1,1,4,4,7-pentamethylnaphthalene

6-bromo-1,1,4,4,7-pentamethylnaphthalene (PubChem CID 10956849) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is 6-bromo-1,1,4,4,7-pentamethylnaphthalene.

Molecular Properties

Compound Name6-bromo-1,1,4,4,7-pentamethylnaphthalene
PubChem CID10956849
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name6-bromo-1,1,4,4,7-pentamethylnaphthalene
SMILESCc1cc2c(cc1Br)C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H19Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h6-9H,1-5H3
InChIKeyNPVIBWATZCPDIH-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4,7-pentamethylnaphthalene?
The IUPAC name of 6-bromo-1,1,4,4,7-pentamethylnaphthalene (CID 10956849) is 6-bromo-1,1,4,4,7-pentamethylnaphthalene.
What is the SMILES notation for 6-bromo-1,1,4,4,7-pentamethylnaphthalene?
The canonical SMILES for 6-bromo-1,1,4,4,7-pentamethylnaphthalene is Cc1cc2c(cc1Br)C(C)(C)C=CC2(C)C.
What is the InChIKey of 6-bromo-1,1,4,4,7-pentamethylnaphthalene?
The InChIKey is NPVIBWATZCPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h6-9H,1-5H3.
What are the key properties of 6-bromo-1,1,4,4,7-pentamethylnaphthalene?
6-bromo-1,1,4,4,7-pentamethylnaphthalene has a molecular weight of 279.22 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,4,4,7-pentamethylnaphthalene is sourced from PubChem (CID 10956849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).