(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol

C28H34O3SSi — CID 100945072

IUPAC(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
SMILESCc1ccc(S(=O)C[C@H](O)/C=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-20,24,29H,21-22H2,1-4H3/b12-11-/t24-,32?/m1/s1
InChIKeyGBZAVYPZJVADNP-HIZSWPHWSA-N
MW478.73 g/mol
LogP4.60
Rot. Bonds9

About (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol

(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol (PubChem CID 100945072) has the molecular formula C28H34O3SSi and a molecular weight of 478.73 g/mol. Its IUPAC name is (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
PubChem CID100945072
Molecular FormulaC28H34O3SSi
Molecular Weight478.73 g/mol
Exact Mass478.20
IUPAC Name(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
SMILESCc1ccc(S(=O)C[C@H](O)/C=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-20,24,29H,21-22H2,1-4H3/b12-11-/t24-,32?/m1/s1
InChIKeyGBZAVYPZJVADNP-HIZSWPHWSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.73
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 101461761
(2R,3R,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 101048838
(2R,3S,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 100945074
(2S,3R,4R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpentane-2,3-diol
CID 101461770
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
tert-butyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]-diphenylsilane
CID 134878629
N-[(2S,3R,4S)-1-(benzenesulfinyl)-3-bromo-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]-4-methylbenzenesulfonamide
CID 101338892
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol
CID 51031826

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol?
The IUPAC name of (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol (CID 100945072) is (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol.
What is the SMILES notation for (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol?
The canonical SMILES for (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol is Cc1ccc(S(=O)C[C@H](O)/C=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol?
The InChIKey is GBZAVYPZJVADNP-HIZSWPHWSA-N. The full InChI is InChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-20,24,29H,21-22H2,1-4H3/b12-11-/t24-,32?/m1/s1.
What are the key properties of (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol?
(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol has a molecular weight of 478.73 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol is sourced from PubChem (CID 100945072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).