[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane

C17H26O4SSi — CID 11428196

IUPAC[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26O4SSi/c1-17(22(18,19)15-9-7-6-8-10-15)12-11-14(13-16(17)20-2)21-23(3,4)5/h6-10,13,16H,11-12H2,1-5H3
InChIKeyVFKUWWRIXWHFBE-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.76
Rot. Bonds5

About [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane

[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 11428196) has the molecular formula C17H26O4SSi and a molecular weight of 354.54 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID11428196
Molecular FormulaC17H26O4SSi
Molecular Weight354.54 g/mol
Exact Mass354.13
IUPAC Name[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26O4SSi/c1-17(22(18,19)15-9-7-6-8-10-15)12-11-14(13-16(17)20-2)21-23(3,4)5/h6-10,13,16H,11-12H2,1-5H3
InChIKeyVFKUWWRIXWHFBE-UHFFFAOYSA-N
XLogP3.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,5R)-3-(benzenesulfonyl)-5-methoxy-2-methylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 90873445
[(3S,6R)-3-methoxy-6-propan-2-ylcyclohexen-1-yl]sulfonylbenzene
CID 9971699
[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
CID 10356327
[(3S,6S)-3-methoxy-6-methylcyclohexen-1-yl]sulfonylbenzene
CID 11777707
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588
2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 102127109
1-[6-(Benzenesulfinyl)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
CID 134880228
3-(benzenesulfonyl)-2-methyl-4a,5,6,8a-tetrahydro-4H-chromene
CID 21582092
[(1S,2S,5R)-3-(benzenesulfonyl)-5-methoxy-2-propan-2-ylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 90821783
[(2S,5R)-3-(benzenesulfonyl)-5-methoxy-2-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 91147482
[(1R,3R)-3-(benzenesulfonyl)-5-(2-prop-2-enoxyethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
CID 123148908

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane (CID 11428196) is [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane is COC1C=C(O[Si](C)(C)C)CCC1(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is VFKUWWRIXWHFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4SSi/c1-17(22(18,19)15-9-7-6-8-10-15)12-11-14(13-16(17)20-2)21-23(3,4)5/h6-10,13,16H,11-12H2,1-5H3.
What are the key properties of [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane?
[4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 354.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-3-methoxy-4-methylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 11428196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).