[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane

C18H28O2SSi — CID 10860667

IUPAC[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane
SMILESCC(=C1CCCCC1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O2SSi/c1-15(16-11-7-5-8-12-16)18(22(2,3)4)21(19,20)17-13-9-6-10-14-17/h6,9-10,13-14,18H,5,7-8,11-12H2,1-4H3
InChIKeyBOSJFSWQYFAUGR-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.99
Rot. Bonds4

About [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane

[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane (PubChem CID 10860667) has the molecular formula C18H28O2SSi and a molecular weight of 336.57 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane
PubChem CID10860667
Molecular FormulaC18H28O2SSi
Molecular Weight336.57 g/mol
Exact Mass336.16
IUPAC Name[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane
SMILESCC(=C1CCCCC1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O2SSi/c1-15(16-11-7-5-8-12-16)18(22(2,3)4)21(19,20)17-13-9-6-10-14-17/h6,9-10,13-14,18H,5,7-8,11-12H2,1-4H3
InChIKeyBOSJFSWQYFAUGR-UHFFFAOYSA-N
XLogP4.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Ethylsulphonyl)benzene
CID 69032
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
(Cyclohexanesulfonyl)benzene
CID 245250
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
1,1'-(2-Butene-1,2-diyldisulfonyl)dibenzene
CID 886377
Benzene, (propylsulfonyl)-
CID 139508
4-(Benzenesulfonyl)but-2-enylsulfonylbenzene
CID 228202
((1-(Phenylsulfonyl)butyl)sulfonyl)benzene
CID 363330
Benzene, [(3-methyl-2-butenyl)sulfonyl]-
CID 684094
Sulfone, hexyl phenyl
CID 555118
(Pentylsulfonyl)-benzene
CID 11063755

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane (CID 10860667) is [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane is CC(=C1CCCCC1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane?
The InChIKey is BOSJFSWQYFAUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2SSi/c1-15(16-11-7-5-8-12-16)18(22(2,3)4)21(19,20)17-13-9-6-10-14-17/h6,9-10,13-14,18H,5,7-8,11-12H2,1-4H3.
What are the key properties of [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane?
[1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane has a molecular weight of 336.57 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-cyclohexylidenepropyl]-trimethylsilane is sourced from PubChem (CID 10860667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).