(4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

C34H57NO4SSi — CID 71127676

About (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

(4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (PubChem CID 71127676) has the molecular formula C34H57NO4SSi and a molecular weight of 603.99 g/mol. Its IUPAC name is (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione.

Molecular Properties

• Compound Name: (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
• PubChem CID: 71127676
• Molecular Formula: C34H57NO4SSi
• Molecular Weight: 603.99 g/mol
• Exact Mass: 603.38
• IUPAC Name: (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
• SMILES: C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@@H](C)[C@H](C)[C@@H](C)CCC1
• InChI: InChI=1S/C34H57NO4SSi/c1-22-15-14-16-23(2)25(4)26(5)32(37)34(10,11)30(39-41(12,13)33(7,8)9)20-31(36)38-29(18-17-22)24(3)19-28-21-40-27(6)35-28/h17,19,21,23,25-26,29-30H,14-16,18,20H2,1-13H3/b22-17-,24-19+/t23-,25+,26-,29-,30-/m0/s1
• InChIKey: SLXHUGNNTAEBCB-BYQBAEKUSA-N
• XLogP: 9.57
• TPSA: 65.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.99
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The IUPAC name of (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (CID 71127676) is (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione.

What is the SMILES notation for (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The canonical SMILES for (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione is C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@@H](C)[C@H](C)[C@@H](C)CCC1.

What is the InChIKey of (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The InChIKey is SLXHUGNNTAEBCB-BYQBAEKUSA-N. The full InChI is InChI=1S/C34H57NO4SSi/c1-22-15-14-16-23(2)25(4)26(5)32(37)34(10,11)30(39-41(12,13)33(7,8)9)20-31(36)38-29(18-17-22)24(3)19-28-21-40-27(6)35-28/h17,19,21,23,25-26,29-30H,14-16,18,20H2,1-13H3/b22-17-,24-19+/t23-,25+,26-,29-,30-/m0/s1.

What are the key properties of (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

(4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione has a molecular weight of 603.99 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7S,8R,9S,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 71127676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).