(5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one

C21H35NO4SSi — CID 11101984

About (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one

(5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one (PubChem CID 11101984) has the molecular formula C21H35NO4SSi and a molecular weight of 425.67 g/mol. Its IUPAC name is (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one
• PubChem CID: 11101984
• Molecular Formula: C21H35NO4SSi
• Molecular Weight: 425.67 g/mol
• Exact Mass: 425.21
• IUPAC Name: (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one
• SMILES: C/C(=C\c1csc(C)n1)[C@H](C[C@@H](O)[C@@]1(C)CCC(=O)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H35NO4SSi/c1-14(11-16-13-27-15(2)22-16)17(26-28(7,8)20(3,4)5)12-18(23)21(6)10-9-19(24)25-21/h11,13,17-18,23H,9-10,12H2,1-8H3/b14-11+/t17-,18+,21+/m0/s1
• InChIKey: NYLKUOPLHVYKEW-FYTUJQOSSA-N
• XLogP: 5.09
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.67
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one?

The IUPAC name of (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one (CID 11101984) is (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one.

What is the SMILES notation for (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one?

The canonical SMILES for (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one is C/C(=C\c1csc(C)n1)[C@H](C[C@@H](O)[C@@]1(C)CCC(=O)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one?

The InChIKey is NYLKUOPLHVYKEW-FYTUJQOSSA-N. The full InChI is InChI=1S/C21H35NO4SSi/c1-14(11-16-13-27-15(2)22-16)17(26-28(7,8)20(3,4)5)12-18(23)21(6)10-9-19(24)25-21/h11,13,17-18,23H,9-10,12H2,1-8H3/b14-11+/t17-,18+,21+/m0/s1.

What are the key properties of (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one?

(5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one has a molecular weight of 425.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one is sourced from PubChem (CID 11101984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).