6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C15H21Br — CID 10039346

IUPAC6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKeyONNHBALCPUEXBT-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.11
Rot. Bonds

About 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 10039346) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID10039346
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKeyONNHBALCPUEXBT-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 10039346) is 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is ONNHBALCPUEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 281.24 g/mol, XLogP of 5.11, 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-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 10039346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).