[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane

C17H26O3SSi — CID 11602512

IUPAC[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-16-13-14(16)11-12-21(18,19)15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/b12-11+/t14-,16+/m0/s1
InChIKeyHCIJHDGJCVOVPG-IXVOVUJJSA-N
MW338.55 g/mol
LogP4.38
Rot. Bonds5

About [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane

[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane (PubChem CID 11602512) has the molecular formula C17H26O3SSi and a molecular weight of 338.55 g/mol. Its IUPAC name is [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
PubChem CID11602512
Molecular FormulaC17H26O3SSi
Molecular Weight338.55 g/mol
Exact Mass338.14
IUPAC Name[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-16-13-14(16)11-12-21(18,19)15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/b12-11+/t14-,16+/m0/s1
InChIKeyHCIJHDGJCVOVPG-IXVOVUJJSA-N
XLogP4.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.38
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
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
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
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane (CID 11602512) is [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]1/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HCIJHDGJCVOVPG-IXVOVUJJSA-N. The full InChI is InChI=1S/C17H26O3SSi/c1-17(2,3)22(4,5)20-16-13-14(16)11-12-21(18,19)15-9-7-6-8-10-15/h6-12,14,16H,13H2,1-5H3/b12-11+/t14-,16+/m0/s1.
What are the key properties of [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane?
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 338.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11602512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).