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

C18H30O3SSi — CID 10360809

IUPACS-phenyl (2R,3R)-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)Sc1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-13(2)15(19)16(21-23(6,7)18(3,4)5)17(20)22-14-11-9-8-10-12-14/h8-13,15-16,19H,1-7H3/t15-,16-/m1/s1
InChIKeyQBGOCBDSBUTJEZ-HZPDHXFCSA-N
MW354.59 g/mol
LogP4.71
Rot. Bonds6

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

S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate (PubChem CID 10360809) has the molecular formula C18H30O3SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate.

Molecular Properties

Compound NameS-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate
PubChem CID10360809
Molecular FormulaC18H30O3SSi
Molecular Weight354.59 g/mol
Exact Mass354.17
IUPAC NameS-phenyl (2R,3R)-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)Sc1ccccc1
InChIInChI=1S/C18H30O3SSi/c1-13(2)15(19)16(21-23(6,7)18(3,4)5)17(20)22-14-11-9-8-10-12-14/h8-13,15-16,19H,1-7H3/t15-,16-/m1/s1
InChIKeyQBGOCBDSBUTJEZ-HZPDHXFCSA-N
XLogP4.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.71
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-phenyl (2R,3R)-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

Related Compounds

S-phenyl (2R,3S)-3-hydroxy-2,4-dimethylpentanethioate
CID 12583875
S-phenyl (2R,3S)-3-hydroxy-2-methylhexanethioate
CID 15091694
(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methyl-2-phenylsulfanylheptan-3-one
CID 21577960
S-phenyl (2S,3R)-3-hydroxy-2,4-dimethylpentanethioate
CID 71355001
S-phenyl (2R,3R)-3-hydroxy-2-methylhexanethioate
CID 101145103
S-phenyl (2S,3R)-3-hydroxy-2,5-dimethylhexanethioate
CID 102351020
S-phenyl (2S,3R)-3-hydroxy-2-methylpentanethioate
CID 134904622
S-phenyl (2R,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhexanethioate
CID 134970336
S-phenyl (2S,3R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhexanethioate
CID 134970348
S-phenyl (2R,3R)-3-hydroxy-2,4-dimethylpentanethioate
CID 134995847
4-Hydroxy-5-methyl-5-phenylsulfanylhexan-2-one
CID 101986397
S-phenyl 3-[tert-butyl(dimethyl)silyl]oxybutanethioate
CID 13712782

Frequently Asked Questions

What is the IUPAC name of S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The IUPAC name of S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate (CID 10360809) is S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate.
What is the SMILES notation for S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The canonical SMILES for S-phenyl (2R,3R)-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)Sc1ccccc1.
What is the InChIKey of S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
The InChIKey is QBGOCBDSBUTJEZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H30O3SSi/c1-13(2)15(19)16(21-23(6,7)18(3,4)5)17(20)22-14-11-9-8-10-12-14/h8-13,15-16,19H,1-7H3/t15-,16-/m1/s1.
What are the key properties of S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate?
S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate has a molecular weight of 354.59 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanethioate is sourced from PubChem (CID 10360809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).