[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane

C20H34O4SSi — CID 14240060

IUPAC[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-20(2,3)26(5,6)24-18-13-12-16(14-19(18)23-4)15-25(21,22)17-10-8-7-9-11-17/h7-11,16,18-19H,12-15H2,1-6H3/t16-,18-,19-/m1/s1
InChIKeyDOPVMWURKRGWPU-BHIYHBOVSA-N
MW398.64 g/mol
LogP4.67
Rot. Bonds6

About [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 14240060) has the molecular formula C20H34O4SSi and a molecular weight of 398.64 g/mol. Its IUPAC name is [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID14240060
Molecular FormulaC20H34O4SSi
Molecular Weight398.64 g/mol
Exact Mass398.19
IUPAC Name[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-20(2,3)26(5,6)24-18-13-12-16(14-19(18)23-4)15-25(21,22)17-10-8-7-9-11-17/h7-11,16,18-19H,12-15H2,1-6H3/t16-,18-,19-/m1/s1
InChIKeyDOPVMWURKRGWPU-BHIYHBOVSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.64
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
[(2S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylsulfanylhexan-2-yl] methanesulfonate
CID 134880530
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134936211
[(2R,3R,4R,6R)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937451
[1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134937814
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937815

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane (CID 14240060) is [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane is CO[C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DOPVMWURKRGWPU-BHIYHBOVSA-N. The full InChI is InChI=1S/C20H34O4SSi/c1-20(2,3)26(5,6)24-18-13-12-16(14-19(18)23-4)15-25(21,22)17-10-8-7-9-11-17/h7-11,16,18-19H,12-15H2,1-6H3/t16-,18-,19-/m1/s1.
What are the key properties of [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 398.64 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14240060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).