1-bromo-1,2,2,3,3-pentamethylindene

C14H19Br — CID 141477429

IUPAC1-bromo-1,2,2,3,3-pentamethylindene
SMILESCC1(C)c2ccccc2C(C)(Br)C1(C)C
InChIInChI=1S/C14H19Br/c1-12(2)10-8-6-7-9-11(10)14(5,15)13(12,3)4/h6-9H,1-5H3
InChIKeySFTGMOWXNBFMNN-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.61
Rot. Bonds

About 1-bromo-1,2,2,3,3-pentamethylindene

1-bromo-1,2,2,3,3-pentamethylindene (PubChem CID 141477429) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-bromo-1,2,2,3,3-pentamethylindene.

Molecular Properties

Compound Name1-bromo-1,2,2,3,3-pentamethylindene
PubChem CID141477429
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-bromo-1,2,2,3,3-pentamethylindene
SMILESCC1(C)c2ccccc2C(C)(Br)C1(C)C
InChIInChI=1S/C14H19Br/c1-12(2)10-8-6-7-9-11(10)14(5,15)13(12,3)4/h6-9H,1-5H3
InChIKeySFTGMOWXNBFMNN-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
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

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CID 57198131
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CID 139978488
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154982020
2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
CID 71425229
3-bromo-3-methyl-2H-1-benzothiophene
CID 142211498
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
1,1,3,3-tetramethyl-2H-isoindole
CID 641027
(8S,15R)-8,15-dibromo-22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene-1-carbonitrile
CID 101102074
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2,2,3,3-pentamethylindene?
The IUPAC name of 1-bromo-1,2,2,3,3-pentamethylindene (CID 141477429) is 1-bromo-1,2,2,3,3-pentamethylindene.
What is the SMILES notation for 1-bromo-1,2,2,3,3-pentamethylindene?
The canonical SMILES for 1-bromo-1,2,2,3,3-pentamethylindene is CC1(C)c2ccccc2C(C)(Br)C1(C)C.
What is the InChIKey of 1-bromo-1,2,2,3,3-pentamethylindene?
The InChIKey is SFTGMOWXNBFMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-12(2)10-8-6-7-9-11(10)14(5,15)13(12,3)4/h6-9H,1-5H3.
What are the key properties of 1-bromo-1,2,2,3,3-pentamethylindene?
1-bromo-1,2,2,3,3-pentamethylindene has a molecular weight of 267.21 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2,2,3,3-pentamethylindene is sourced from PubChem (CID 141477429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).