1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene

C15H21Br — CID 79838157

IUPAC1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene
SMILESCC(C)(C)c1ccc2c(c1)C(Br)CC2(C)C
InChIInChI=1S/C15H21Br/c1-14(2,3)10-6-7-12-11(8-10)13(16)9-15(12,4)5/h6-8,13H,9H2,1-5H3
InChIKeyDESZIFMXADDULJ-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.10
Rot. Bonds

About 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene

1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene (PubChem CID 79838157) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene
PubChem CID79838157
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene
SMILESCC(C)(C)c1ccc2c(c1)C(Br)CC2(C)C
InChIInChI=1S/C15H21Br/c1-14(2,3)10-6-7-12-11(8-10)13(16)9-15(12,4)5/h6-8,13H,9H2,1-5H3
InChIKeyDESZIFMXADDULJ-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84632092
1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 63513898
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84637960
9-bromo-7,7-dimethyl-3,4,8,9-tetrahydro-2H-cyclopenta[h][1,5]benzodioxepine
CID 79838060
5-bromo-3-tert-butyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514075
7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64686570
5-tert-butyl-2,3,3-trimethyl-1H-inden-2-ide;uranium(2+)
CID 21055230
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 55264301

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene (CID 79838157) is 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene is CC(C)(C)c1ccc2c(c1)C(Br)CC2(C)C.
What is the InChIKey of 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is DESZIFMXADDULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-14(2,3)10-6-7-12-11(8-10)13(16)9-15(12,4)5/h6-8,13H,9H2,1-5H3.
What are the key properties of 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene?
1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 281.24 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-tert-butyl-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 79838157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).