1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene

C14H19Br — CID 63513898

IUPAC1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)C(Br)CCC2
InChIInChI=1S/C14H19Br/c1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyYUCWSUMVOMMTAY-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.76
Rot. Bonds

About 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene

1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 63513898) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID63513898
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)C(Br)CCC2
InChIInChI=1S/C14H19Br/c1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyYUCWSUMVOMMTAY-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.76
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-7-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 63513898) is 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(C)(C)c1ccc2c(c1)C(Br)CCC2.
What is the InChIKey of 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YUCWSUMVOMMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene?
1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 267.21 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63513898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).