[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

C18H30O3SSi — CID 14433572

IUPAC[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3
InChIKeySIYLNRSHDLUGLG-UHFFFAOYSA-N
MW354.59 g/mol
LogP4.79
Rot. Bonds4

About [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 14433572) has the molecular formula C18H30O3SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID14433572
Molecular FormulaC18H30O3SSi
Molecular Weight354.59 g/mol
Exact Mass354.17
IUPAC Name[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3
InChIKeySIYLNRSHDLUGLG-UHFFFAOYSA-N
XLogP4.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.79
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

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[1-(Benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane
CID 10860667

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (CID 14433572) is [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SIYLNRSHDLUGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3.
What are the key properties of [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
[3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 354.59 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14433572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).