(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol

C29H36O4SSi — CID 10696994

IUPAC(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
SMILESC[C@H](/C=C\S(=O)(=O)c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O4SSi/c1-24(21-23-34(31,32)25-14-8-5-9-15-25)28(30)20-22-33-35(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,21,23-24,28,30H,20,22H2,1-4H3/b23-21-/t24-,28+/m1/s1
InChIKeyIVGJASXZMYZSLC-RMAQSYCSSA-N
MW508.76 g/mol
LogP4.94
Rot. Bonds10

About (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol

(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol (PubChem CID 10696994) has the molecular formula C29H36O4SSi and a molecular weight of 508.76 g/mol. Its IUPAC name is (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
PubChem CID10696994
Molecular FormulaC29H36O4SSi
Molecular Weight508.76 g/mol
Exact Mass508.21
IUPAC Name(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
SMILESC[C@H](/C=C\S(=O)(=O)c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O4SSi/c1-24(21-23-34(31,32)25-14-8-5-9-15-25)28(30)20-22-33-35(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,21,23-24,28,30H,20,22H2,1-4H3/b23-21-/t24-,28+/m1/s1
InChIKeyIVGJASXZMYZSLC-RMAQSYCSSA-N
XLogP4.94
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.76
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
(2R,3R,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(S)-phenylsulfinyl]pentan-3-ol
CID 11114419
(1S,2S,6R,7S)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-ol
CID 11567749
(2R,3R,4S)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-[(R)-phenylsulfinyl]pentan-3-ol
CID 11734407
(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-5-methyl-8-trimethylsilyloctane-3,5-diol
CID 11767344
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
CID 15935891
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilyloctane-3,5-diol
CID 21681677
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038737
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038738
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038741

Frequently Asked Questions

What is the IUPAC name of (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol?
The IUPAC name of (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol (CID 10696994) is (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol.
What is the SMILES notation for (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol?
The canonical SMILES for (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol is C[C@H](/C=C\S(=O)(=O)c1ccccc1)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol?
The InChIKey is IVGJASXZMYZSLC-RMAQSYCSSA-N. The full InChI is InChI=1S/C29H36O4SSi/c1-24(21-23-34(31,32)25-14-8-5-9-15-25)28(30)20-22-33-35(29(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,21,23-24,28,30H,20,22H2,1-4H3/b23-21-/t24-,28+/m1/s1.
What are the key properties of (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol?
(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol has a molecular weight of 508.76 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol is sourced from PubChem (CID 10696994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).