2-bromo-6-(2,2-dimethylpropyl)naphthalene

C15H17Br — CID 118494788

IUPAC2-bromo-6-(2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17Br/c1-15(2,3)10-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9H,10H2,1-3H3
InChIKeyOTLIHXBEUXKEII-UHFFFAOYSA-N
MW277.21 g/mol
LogP5.19
Rot. Bonds1

About 2-bromo-6-(2,2-dimethylpropyl)naphthalene

2-bromo-6-(2,2-dimethylpropyl)naphthalene (PubChem CID 118494788) has the molecular formula C15H17Br and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-6-(2,2-dimethylpropyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(2,2-dimethylpropyl)naphthalene
PubChem CID118494788
Molecular FormulaC15H17Br
Molecular Weight277.21 g/mol
Exact Mass276.05
IUPAC Name2-bromo-6-(2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17Br/c1-15(2,3)10-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9H,10H2,1-3H3
InChIKeyOTLIHXBEUXKEII-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.21
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,2-dimethylpropyl)naphthalene?
The IUPAC name of 2-bromo-6-(2,2-dimethylpropyl)naphthalene (CID 118494788) is 2-bromo-6-(2,2-dimethylpropyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(2,2-dimethylpropyl)naphthalene?
The canonical SMILES for 2-bromo-6-(2,2-dimethylpropyl)naphthalene is CC(C)(C)Cc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(2,2-dimethylpropyl)naphthalene?
The InChIKey is OTLIHXBEUXKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br/c1-15(2,3)10-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-6-(2,2-dimethylpropyl)naphthalene?
2-bromo-6-(2,2-dimethylpropyl)naphthalene has a molecular weight of 277.21 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,2-dimethylpropyl)naphthalene is sourced from PubChem (CID 118494788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).