3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole

C18H14Si — CID 164789486

IUPAC3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole
SMILESC#Cc1ccc2c(c1)[Si](C)(C)c1cc(C#C)ccc1-2
InChIInChI=1S/C18H14Si/c1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13/h1-2,7-12H,3-4H3
InChIKeyHUPDCBSEAPIWSH-UHFFFAOYSA-N
MW258.40 g/mol
LogP2.45
Rot. Bonds

About 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole

3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 164789486) has the molecular formula C18H14Si and a molecular weight of 258.40 g/mol. Its IUPAC name is 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID164789486
Molecular FormulaC18H14Si
Molecular Weight258.40 g/mol
Exact Mass258.09
IUPAC Name3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole
SMILESC#Cc1ccc2c(c1)[Si](C)(C)c1cc(C#C)ccc1-2
InChIInChI=1S/C18H14Si/c1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13/h1-2,7-12H,3-4H3
InChIKeyHUPDCBSEAPIWSH-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
CID 164789513
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;bis(gold(1+))
CID 164789498
bis(3,8-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790294
2-(2-carboxy-4-ethynylphenyl)-5-ethynylbenzoic acid
CID 22140181
1-bromo-4-ethynyl-2-methoxybenzene
CID 131857693
2-ethyl-5-ethynylisoindole-1,3-dione
CID 58482881
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
4-ethynyl-2-fluoro-1-methylbenzene
CID 22112316
8-ethynylfluoranthene
CID 15808436
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620
5-ethynyl-3-methyl-1H-indene
CID 59116424
7-ethynyl-9H-fluoren-2-amine
CID 118494896

Frequently Asked Questions

What is the IUPAC name of 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole (CID 164789486) is 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole is C#Cc1ccc2c(c1)[Si](C)(C)c1cc(C#C)ccc1-2.
What is the InChIKey of 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is HUPDCBSEAPIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Si/c1-5-13-7-9-15-16-10-8-14(6-2)12-18(16)19(3,4)17(15)11-13/h1-2,7-12H,3-4H3.
What are the key properties of 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole?
3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 258.40 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethynyl-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 164789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).