(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol

C22H36O4SSi — CID 102092728

IUPAC(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
SMILESC=C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[C@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O4SSi/c1-7-22(27(24,25)18-13-9-8-10-14-18)17-19(22)20(23)15-11-12-16-26-28(5,6)21(2,3)4/h7-10,13-14,19-20,23H,1,11-12,15-17H2,2-6H3/t19-,20-,22+/m1/s1
InChIKeyIIDOPFBKTJAFAJ-SJBKTWHCSA-N
MW424.68 g/mol
LogP4.96
Rot. Bonds10

About (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol

(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol (PubChem CID 102092728) has the molecular formula C22H36O4SSi and a molecular weight of 424.68 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
PubChem CID102092728
Molecular FormulaC22H36O4SSi
Molecular Weight424.68 g/mol
Exact Mass424.21
IUPAC Name(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
SMILESC=C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[C@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O4SSi/c1-7-22(27(24,25)18-13-9-8-10-14-18)17-19(22)20(23)15-11-12-16-26-28(5,6)21(2,3)4/h7-10,13-14,19-20,23H,1,11-12,15-17H2,2-6H3/t19-,20-,22+/m1/s1
InChIKeyIIDOPFBKTJAFAJ-SJBKTWHCSA-N
XLogP4.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
CID 91798381
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(6R,7R,7aS)-6-acetyl-6-(benzenesulfonyl)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 24749446
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
methyl (1R,2S,4S)-1-(benzenesulfonyl)-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-4-hydroxycyclopentane-1-carboxylate
CID 53381246
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol?
The IUPAC name of (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol (CID 102092728) is (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol?
The canonical SMILES for (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol is C=C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1[C@H](O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol?
The InChIKey is IIDOPFBKTJAFAJ-SJBKTWHCSA-N. The full InChI is InChI=1S/C22H36O4SSi/c1-7-22(27(24,25)18-13-9-8-10-14-18)17-19(22)20(23)15-11-12-16-26-28(5,6)21(2,3)4/h7-10,13-14,19-20,23H,1,11-12,15-17H2,2-6H3/t19-,20-,22+/m1/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol?
(1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol has a molecular weight of 424.68 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-(benzenesulfonyl)-2-ethenylcyclopropyl]-5-[tert-butyl(dimethyl)silyl]oxypentan-1-ol is sourced from PubChem (CID 102092728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).