5,5-dibutyl-2-ethylbenzo[b][1]benzosilole

C22H30Si — CID 122180194

IUPAC5,5-dibutyl-2-ethylbenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2ccccc2-c2cc(CC)ccc21
InChIInChI=1S/C22H30Si/c1-4-7-15-23(16-8-5-2)21-12-10-9-11-19(21)20-17-18(6-3)13-14-22(20)23/h9-14,17H,4-8,15-16H2,1-3H3
InChIKeyRXMHLWGVRFTKSY-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.39
Rot. Bonds7

About 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole

5,5-dibutyl-2-ethylbenzo[b][1]benzosilole (PubChem CID 122180194) has the molecular formula C22H30Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-dibutyl-2-ethylbenzo[b][1]benzosilole
PubChem CID122180194
Molecular FormulaC22H30Si
Molecular Weight322.57 g/mol
Exact Mass322.21
IUPAC Name5,5-dibutyl-2-ethylbenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2ccccc2-c2cc(CC)ccc21
InChIInChI=1S/C22H30Si/c1-4-7-15-23(16-8-5-2)21-12-10-9-11-19(21)20-17-18(6-3)13-14-22(20)23/h9-14,17H,4-8,15-16H2,1-3H3
InChIKeyRXMHLWGVRFTKSY-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.39
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

5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole
CID 58992237
hexakis(decane);ethylbenzene
CID 173398562
3-ethylfluoren-9-one
CID 11344805
(3-borono-5,5-dioctylbenzo[b][1]benzosilol-7-yl)boronic acid
CID 142751906
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
1,4-diethylbenzene;heptane
CID 175370860
3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole
CID 86016129
5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole
CID 102021725
ethylcyclodecapentaene
CID 90861705
2-iodo-5,5-dimethylbenzo[b][1]benzosilole
CID 140829027
5-butyl-5-[(1S)-2-methyl-1H-inden-1-yl]benzo[b][1]benzosilole
CID 139048881
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole?
The IUPAC name of 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole (CID 122180194) is 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole.
What is the SMILES notation for 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole?
The canonical SMILES for 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole is CCCC[Si]1(CCCC)c2ccccc2-c2cc(CC)ccc21.
What is the InChIKey of 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole?
The InChIKey is RXMHLWGVRFTKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Si/c1-4-7-15-23(16-8-5-2)21-12-10-9-11-19(21)20-17-18(6-3)13-14-22(20)23/h9-14,17H,4-8,15-16H2,1-3H3.
What are the key properties of 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole?
5,5-dibutyl-2-ethylbenzo[b][1]benzosilole has a molecular weight of 322.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-2-ethylbenzo[b][1]benzosilole is sourced from PubChem (CID 122180194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).