2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol

C15H24O3SSi — CID 23254499

IUPAC2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol
SMILESC[Si](C)(C)C[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1CCO
InChIInChI=1S/C15H24O3SSi/c1-20(2,3)12-15(11-13(15)9-10-16)19(17,18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyZSVKBLJFJXMLOE-HIFRSBDPSA-N
MW312.51 g/mol
LogP2.94
Rot. Bonds6

About 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol

2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol (PubChem CID 23254499) has the molecular formula C15H24O3SSi and a molecular weight of 312.51 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol
PubChem CID23254499
Molecular FormulaC15H24O3SSi
Molecular Weight312.51 g/mol
Exact Mass312.12
IUPAC Name2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol
SMILESC[Si](C)(C)C[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1CCO
InChIInChI=1S/C15H24O3SSi/c1-20(2,3)12-15(11-13(15)9-10-16)19(17,18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyZSVKBLJFJXMLOE-HIFRSBDPSA-N
XLogP2.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(benzenesulfonyl)-2-octylcyclopropyl]methyl-trimethylsilane
CID 10339768
14-[7-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]decan-7-yl]tetradecan-1-ol
CID 11168132
1-[(1R,2R)-1-(benzenesulfonyl)-2-propylcyclopropyl]butan-1-ol
CID 102122729
[(2R)-1-(benzenesulfonyl)-2-(3,3-dimethylbut-1-ynyl)cyclopropyl]sulfonylbenzene
CID 102328450
[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
(4R)-4-(2-hydroxyethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 95560288
[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
CID 11004939
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
(1S,5R)-3-(benzenesulfonyl)-3-phenyl-6-oxabicyclo[3.1.0]hexane
CID 10870308
trimethylsilylmethyl benzenesulfonate
CID 23238373

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol (CID 23254499) is 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol is C[Si](C)(C)C[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1CCO.
What is the InChIKey of 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol?
The InChIKey is ZSVKBLJFJXMLOE-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24O3SSi/c1-20(2,3)12-15(11-13(15)9-10-16)19(17,18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol?
2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol has a molecular weight of 312.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(benzenesulfonyl)-2-(trimethylsilylmethyl)cyclopropyl]ethanol is sourced from PubChem (CID 23254499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).