(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

C26H33NO2SSi — CID 68953491

IUPAC(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC/C(=C\c1csc(C)n1)[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO2SSi/c1-20(18-22-19-30-21(2)27-22)25(16-17-28)29-31(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18-19,25,28H,16-17H2,1-5H3/b20-18+/t25-/m1/s1
InChIKeyAHPKZABTMDHASJ-MHOQICJOSA-N
MW451.71 g/mol
LogP5.18
Rot. Bonds8

About (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (PubChem CID 68953491) has the molecular formula C26H33NO2SSi and a molecular weight of 451.71 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
PubChem CID68953491
Molecular FormulaC26H33NO2SSi
Molecular Weight451.71 g/mol
Exact Mass451.20
IUPAC Name(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC/C(=C\c1csc(C)n1)[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO2SSi/c1-20(18-22-19-30-21(2)27-22)25(16-17-28)29-31(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18-19,25,28H,16-17H2,1-5H3/b20-18+/t25-/m1/s1
InChIKeyAHPKZABTMDHASJ-MHOQICJOSA-N
XLogP5.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.71
LogP ≤ 55.18
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

[(E)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-triphenylphosphanium iodide
CID 22244431
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 6167478
(E,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal
CID 11328743
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-2-chloro-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dienoate
CID 90979797
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol
CID 56996652
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-2-ylpent-4-enyl]-triphenylphosphanium iodide
CID 173080426
(2Z,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 6025407
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 57270333
[3-[(E)-2-methoxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2-methyloxiran-2-yl]methanol
CID 18739761
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
tert-butyl-[(E,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-pyridin-4-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68947226
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-enyl]-triphenylphosphanium
CID 173129284

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The IUPAC name of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (CID 68953491) is (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is C/C(=C\c1csc(C)n1)[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The InChIKey is AHPKZABTMDHASJ-MHOQICJOSA-N. The full InChI is InChI=1S/C26H33NO2SSi/c1-20(18-22-19-30-21(2)27-22)25(16-17-28)29-31(26(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,18-19,25,28H,16-17H2,1-5H3/b20-18+/t25-/m1/s1.
What are the key properties of (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol has a molecular weight of 451.71 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 68953491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).