[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane

C22H38O3SSi — CID 11732355

IUPAC[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38O3SSi/c1-17(2)27(18(3)4,19(5)6)25-22-15-11-10-12-20(22)16-26(23,24)21-13-8-7-9-14-21/h7-9,13-14,17-20,22H,10-12,15-16H2,1-6H3/t20-,22-/m1/s1
InChIKeyCTUATOWHMQSRBC-IFMALSPDSA-N
MW410.70 g/mol
LogP6.21
Rot. Bonds8

About [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane

[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11732355) has the molecular formula C22H38O3SSi and a molecular weight of 410.70 g/mol. Its IUPAC name is [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID11732355
Molecular FormulaC22H38O3SSi
Molecular Weight410.70 g/mol
Exact Mass410.23
IUPAC Name[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38O3SSi/c1-17(2)27(18(3)4,19(5)6)25-22-15-11-10-12-20(22)16-26(23,24)21-13-8-7-9-14-21/h7-9,13-14,17-20,22H,10-12,15-16H2,1-6H3/t20-,22-/m1/s1
InChIKeyCTUATOWHMQSRBC-IFMALSPDSA-N
XLogP6.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.21
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
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
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
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
[1-[2-(Benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
CID 14102001
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
(2S,3R,4S,10S,11S,14S)-1,9-bis(benzenesulfonyl)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10,14-tetramethylhexadec-15-en-7-ol
CID 11104839
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
(R)-4-(tert-Butyldimethylsilyloxy)-3-methylbutyl pheny sulfone
CID 11267890

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane (CID 11732355) is [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is CTUATOWHMQSRBC-IFMALSPDSA-N. The full InChI is InChI=1S/C22H38O3SSi/c1-17(2)27(18(3)4,19(5)6)25-22-15-11-10-12-20(22)16-26(23,24)21-13-8-7-9-14-21/h7-9,13-14,17-20,22H,10-12,15-16H2,1-6H3/t20-,22-/m1/s1.
What are the key properties of [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane?
[(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 410.70 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(benzenesulfonylmethyl)cyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11732355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).