[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane

C21H30OSSi — CID 54216367

IUPAC[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane
SMILESC=CC(=CO[Si](C)(C)C)CCCCCCc1cc2ccccc2s1
InChIInChI=1S/C21H30OSSi/c1-5-18(17-22-24(2,3)4)12-8-6-7-9-14-20-16-19-13-10-11-15-21(19)23-20/h5,10-11,13,15-17H,1,6-9,12,14H2,2-4H3
InChIKeyPZLXRWIQZRCLAW-UHFFFAOYSA-N
MW358.62 g/mol
LogP7.32
Rot. Bonds10

About [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane

[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane (PubChem CID 54216367) has the molecular formula C21H30OSSi and a molecular weight of 358.62 g/mol. Its IUPAC name is [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane
PubChem CID54216367
Molecular FormulaC21H30OSSi
Molecular Weight358.62 g/mol
Exact Mass358.18
IUPAC Name[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane
SMILESC=CC(=CO[Si](C)(C)C)CCCCCCc1cc2ccccc2s1
InChIInChI=1S/C21H30OSSi/c1-5-18(17-22-24(2,3)4)12-8-6-7-9-14-20-16-19-13-10-11-15-21(19)23-20/h5,10-11,13,15-17H,1,6-9,12,14H2,2-4H3
InChIKeyPZLXRWIQZRCLAW-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
2-butyl-1-benzothiophene
CID 70061043
2-(ethenoxymethyl)-1-benzothiophene
CID 89458647
2-(3-cyclopentylpropyl)-1-benzothiophene;methyl heptanoate
CID 144709525
2-(3-cyclopentylpropyl)-1-benzothiophene;heptanoic acid
CID 144709534
2-(3-cyclopentylpropyl)-1-benzothiophene;methanol;methyl heptanoate
CID 144709503
2-(prop-2-enoxymethyl)-1-benzothiophene
CID 14323465
4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine
CID 143504980
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
3-(1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117119996
4-[2-(1-benzothiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122015446
3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 118469725

Frequently Asked Questions

What is the IUPAC name of [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane?
The IUPAC name of [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane (CID 54216367) is [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane.
What is the SMILES notation for [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane?
The canonical SMILES for [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane is C=CC(=CO[Si](C)(C)C)CCCCCCc1cc2ccccc2s1.
What is the InChIKey of [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane?
The InChIKey is PZLXRWIQZRCLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OSSi/c1-5-18(17-22-24(2,3)4)12-8-6-7-9-14-20-16-19-13-10-11-15-21(19)23-20/h5,10-11,13,15-17H,1,6-9,12,14H2,2-4H3.
What are the key properties of [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane?
[8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane has a molecular weight of 358.62 g/mol, XLogP of 7.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-benzothiophen-2-yl)-2-ethenyloct-1-enoxy]-trimethylsilane is sourced from PubChem (CID 54216367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).