3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole

C16H16Br2O2Si — CID 11524744

IUPAC3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole
SMILESCOc1cc2c(cc1Br)[Si](C)(C)c1cc(Br)c(OC)cc1-2
InChIInChI=1S/C16H16Br2O2Si/c1-19-13-5-9-10-6-14(20-2)12(18)8-16(10)21(3,4)15(9)7-11(13)17/h5-8H,1-4H3
InChIKeyRQWJEDZKGQSIED-UHFFFAOYSA-N
MW428.20 g/mol
LogP4.03
Rot. Bonds2

About 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole

3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 11524744) has the molecular formula C16H16Br2O2Si and a molecular weight of 428.20 g/mol. Its IUPAC name is 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID11524744
Molecular FormulaC16H16Br2O2Si
Molecular Weight428.20 g/mol
Exact Mass425.93
IUPAC Name3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole
SMILESCOc1cc2c(cc1Br)[Si](C)(C)c1cc(Br)c(OC)cc1-2
InChIInChI=1S/C16H16Br2O2Si/c1-19-13-5-9-10-6-14(20-2)12(18)8-16(10)21(3,4)15(9)7-11(13)17/h5-8H,1-4H3
InChIKeyRQWJEDZKGQSIED-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dibromo-2,8-dimethoxy-5,5-dioctylbenzo[b][1]benzosilole
CID 122227107
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
5-bromo-2,4-dimethoxybenzenethiol
CID 50989231
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-bromo-5-[2-(5-bromo-2,4-dimethoxyphenyl)ethynyl]-2,4-dimethoxybenzene
CID 172870430
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-bromo-5-(4-bromo-2,5-dimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139087770
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 70926351
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole (CID 11524744) is 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole is COc1cc2c(cc1Br)[Si](C)(C)c1cc(Br)c(OC)cc1-2.
What is the InChIKey of 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is RQWJEDZKGQSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2Si/c1-19-13-5-9-10-6-14(20-2)12(18)8-16(10)21(3,4)15(9)7-11(13)17/h5-8H,1-4H3.
What are the key properties of 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole?
3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 428.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-2,8-dimethoxy-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 11524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).