[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane

C18H24O3SSi — CID 10980970

IUPAC[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24O3SSi/c1-23(2,3)21-18(15-14-16-10-6-4-7-11-16)22(19,20)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyYKXDTBROIYGKOJ-UHFFFAOYSA-N
MW348.54 g/mol
LogP4.27
Rot. Bonds7

About [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane

[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane (PubChem CID 10980970) has the molecular formula C18H24O3SSi and a molecular weight of 348.54 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
PubChem CID10980970
Molecular FormulaC18H24O3SSi
Molecular Weight348.54 g/mol
Exact Mass348.12
IUPAC Name[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24O3SSi/c1-23(2,3)21-18(15-14-16-10-6-4-7-11-16)22(19,20)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyYKXDTBROIYGKOJ-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
CID 19070477
[3-(benzenesulfonyl)-3-phenylpropyl]benzene
CID 174743657
(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
CID 102467698
ethyl 2-(benzenesulfonyl)-4-phenylbutanoate
CID 102448987
2-(benzenesulfonyl)-4-phenylbutanenitrile
CID 14942023
[dimethyl(2-phenylethyl)silyl] benzenesulfonate
CID 87329787
methyl (3R)-2-(benzenesulfonyl)-3-(2-phenylethyl)pent-4-enoate
CID 102238798
[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate
CID 132604707
methyl (3S)-2-(benzenesulfonyl)-5-phenyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 135064297
4-phenylbutan-2-yl sulfamate
CID 24761702
[(2R)-4-phenyl-2-triethylsilyloxybutyl] 4-methylbenzenesulfonate
CID 87332090
(1-oxo-4-phenylbutan-2-yl) 4-methylbenzenesulfonate
CID 11782120

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane (CID 10980970) is [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane is C[Si](C)(C)OC(CCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane?
The InChIKey is YKXDTBROIYGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3SSi/c1-23(2,3)21-18(15-14-16-10-6-4-7-11-16)22(19,20)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane?
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane has a molecular weight of 348.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane is sourced from PubChem (CID 10980970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).