3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole

C15H15BrSi — CID 58352081

IUPAC3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C15H15BrSi/c1-10-4-6-12-13-7-5-11(16)9-15(13)17(2,3)14(12)8-10/h4-9H,1-3H3
InChIKeyRYEFXPXJYCZKQM-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.56
Rot. Bonds

About 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole

3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole (PubChem CID 58352081) has the molecular formula C15H15BrSi and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole
PubChem CID58352081
Molecular FormulaC15H15BrSi
Molecular Weight303.28 g/mol
Exact Mass302.01
IUPAC Name3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si](C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C15H15BrSi/c1-10-4-6-12-13-7-5-11(16)9-15(13)17(2,3)14(12)8-10/h4-9H,1-3H3
InChIKeyRYEFXPXJYCZKQM-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5,5,10,10-tetramethylsilanthrene
CID 165382116
5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole
CID 59500118
4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 171436554
8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182791
2,3,5,5,8-pentamethylbenzo[b][1]benzosilole
CID 58038585
2-bromo-7-methyl-9H-fluorene
CID 21041918
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 89375717
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
3,8-dibromo-5,5,6,6-tetrabutylbenzo[c][1,2]benzodisiline
CID 102314778
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine
CID 171731157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole?
The IUPAC name of 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole (CID 58352081) is 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole is Cc1ccc2c(c1)[Si](C)(C)c1cc(Br)ccc1-2.
What is the InChIKey of 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole?
The InChIKey is RYEFXPXJYCZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrSi/c1-10-4-6-12-13-7-5-11(16)9-15(13)17(2,3)14(12)8-10/h4-9H,1-3H3.
What are the key properties of 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole?
3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole has a molecular weight of 303.28 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,5,7-trimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 58352081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).