S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate

C16H34O3SSi — CID 134904174

IUPACS-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate
SMILESCC(C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)SC(C)(C)C
InChIInChI=1S/C16H34O3SSi/c1-11(2)12(17)13(14(18)20-15(3,4)5)19-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m0/s1
InChIKeyHFSQOTFZNJYRMJ-STQMWFEESA-N
MW334.60 g/mol
LogP4.45
Rot. Bonds5

About S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate

S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate (PubChem CID 134904174) has the molecular formula C16H34O3SSi and a molecular weight of 334.60 g/mol. Its IUPAC name is S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate.

Molecular Properties

Compound NameS-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate
PubChem CID134904174
Molecular FormulaC16H34O3SSi
Molecular Weight334.60 g/mol
Exact Mass334.20
IUPAC NameS-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate
SMILESCC(C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)SC(C)(C)C
InChIInChI=1S/C16H34O3SSi/c1-11(2)12(17)13(14(18)20-15(3,4)5)19-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m0/s1
InChIKeyHFSQOTFZNJYRMJ-STQMWFEESA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The IUPAC name of S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate (CID 134904174) is S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate.
What is the SMILES notation for S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The canonical SMILES for S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate is CC(C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)SC(C)(C)C.
What is the InChIKey of S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The InChIKey is HFSQOTFZNJYRMJ-STQMWFEESA-N. The full InChI is InChI=1S/C16H34O3SSi/c1-11(2)12(17)13(14(18)20-15(3,4)5)19-21(9,10)16(6,7)8/h11-13,17H,1-10H3/t12-,13-/m0/s1.
What are the key properties of S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate has a molecular weight of 334.60 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate is sourced from PubChem (CID 134904174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).