methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate

C19H28O4Si — CID 10521711

IUPACmethyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C19H28O4Si/c1-19(2,3)24(5,6)23-15-12-14(20)17(18(21)22-4)16(15)13-10-8-7-9-11-13/h7-11,15-17H,12H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyTUZPRDDTEZMBQW-ULQDDVLXSA-N
MW348.51 g/mol
LogP3.92
Rot. Bonds4

About methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate

methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate (PubChem CID 10521711) has the molecular formula C19H28O4Si and a molecular weight of 348.51 g/mol. Its IUPAC name is methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
PubChem CID10521711
Molecular FormulaC19H28O4Si
Molecular Weight348.51 g/mol
Exact Mass348.18
IUPAC Namemethyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C19H28O4Si/c1-19(2,3)24(5,6)23-15-12-14(20)17(18(21)22-4)16(15)13-10-8-7-9-11-13/h7-11,15-17H,12H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyTUZPRDDTEZMBQW-ULQDDVLXSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate 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 methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate (CID 10521711) is methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate is COC(=O)[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate?
The InChIKey is TUZPRDDTEZMBQW-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H28O4Si/c1-19(2,3)24(5,6)23-15-12-14(20)17(18(21)22-4)16(15)13-10-8-7-9-11-13/h7-11,15-17H,12H2,1-6H3/t15-,16-,17-/m0/s1.
What are the key properties of methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate?
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate has a molecular weight of 348.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 10521711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).