methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate

C22H28FIO3Si — CID 90721320

IUPACmethyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate
SMILESCOC(=O)[C@@H](F)C[C@H](I)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28FIO3Si/c1-22(2,3)28(18-11-7-5-8-12-18,19-13-9-6-10-14-19)27-16-17(24)15-20(23)21(25)26-4/h5-14,17,20H,15-16H2,1-4H3/t17-,20-/m0/s1
InChIKeyFUAAFEPSMJCPEJ-PXNSSMCTSA-N
MW514.45 g/mol
LogP4.27
Rot. Bonds8

About methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate

methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate (PubChem CID 90721320) has the molecular formula C22H28FIO3Si and a molecular weight of 514.45 g/mol. Its IUPAC name is methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate.

Molecular Properties

Compound Namemethyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate
PubChem CID90721320
Molecular FormulaC22H28FIO3Si
Molecular Weight514.45 g/mol
Exact Mass514.08
IUPAC Namemethyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate
SMILESCOC(=O)[C@@H](F)C[C@H](I)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28FIO3Si/c1-22(2,3)28(18-11-7-5-8-12-18,19-13-9-6-10-14-19)27-16-17(24)15-20(23)21(25)26-4/h5-14,17,20H,15-16H2,1-4H3/t17-,20-/m0/s1
InChIKeyFUAAFEPSMJCPEJ-PXNSSMCTSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate 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

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
Ethyl 3-[fluoro(diphenyl)silyl]-4-methylpentanoate
CID 11244867
cis-ethyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 101113638
ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
CID 101269308
trans-ethyl (1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 134934274
Methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
CID 14778762
5-{[tert-Butyl(diphenyl)silyl]oxy}-4-fluoropentanal
CID 71379654
methyl (2S)-4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoate
CID 10874243
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10883221
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 11760496
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 12097658
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 20871289

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate?
The IUPAC name of methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate (CID 90721320) is methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate.
What is the SMILES notation for methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate?
The canonical SMILES for methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate is COC(=O)[C@@H](F)C[C@H](I)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate?
The InChIKey is FUAAFEPSMJCPEJ-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H28FIO3Si/c1-22(2,3)28(18-11-7-5-8-12-18,19-13-9-6-10-14-19)27-16-17(24)15-20(23)21(25)26-4/h5-14,17,20H,15-16H2,1-4H3/t17-,20-/m0/s1.
What are the key properties of methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate?
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate has a molecular weight of 514.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-iodopentanoate is sourced from PubChem (CID 90721320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).