tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate

C19H32O4Si — CID 102018179

IUPACtert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
SMILESCC(C)(C)OC(=O)[C@@H](O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)22-17(21)16(20)13-14-9-11-15(12-10-14)23-24(7,8)19(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-/m0/s1
InChIKeyIBCTZAZPJFITIX-INIZCTEOSA-N
MW352.55 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate

tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate (PubChem CID 102018179) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
PubChem CID102018179
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Nametert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
SMILESCC(C)(C)OC(=O)[C@@H](O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)22-17(21)16(20)13-14-9-11-15(12-10-14)23-24(7,8)19(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-/m0/s1
InChIKeyIBCTZAZPJFITIX-INIZCTEOSA-N
XLogP4.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate?
The IUPAC name of tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate (CID 102018179) is tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate.
What is the SMILES notation for tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate?
The canonical SMILES for tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate is CC(C)(C)OC(=O)[C@@H](O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate?
The InChIKey is IBCTZAZPJFITIX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-18(2,3)22-17(21)16(20)13-14-9-11-15(12-10-14)23-24(7,8)19(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-/m0/s1.
What are the key properties of tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate?
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate has a molecular weight of 352.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate is sourced from PubChem (CID 102018179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).