(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid

C19H24O3Si — CID 11232725

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H24O3Si/c1-15(18(20)21)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyBCEZSELDBRXAQI-HNNXBMFYSA-N
MW328.48 g/mol
LogP3.04
Rot. Bonds5

About (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid

(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid (PubChem CID 11232725) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid
PubChem CID11232725
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H24O3Si/c1-15(18(20)21)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyBCEZSELDBRXAQI-HNNXBMFYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((Tert-butyldiphenylsilyl)oxy)propanoic acid
CID 12105094
2-((tert-Butyldiphenylsilyl)oxy)acetic acid
CID 11141564
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
3-(Methyldiphenylsilyl)propionic acid
CID 9970379
(2R)-1-(tert-Butyldiphenylsilyloxy)-2-hydroxy-hex-1-ene
CID 11279685
2-Propanone, 1-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 3316111
Butanoic acid, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 5461160
(3R)-4-[tert-butyl(diphenyl)silyl]oxybutane-1,3-diol
CID 10472701
(S)-(+)-3-(tert-butyl-diphenyl-silanyloxy)-2-methylpropionic acid
CID 10665033
1,2-Propanediol, 3-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, (2R)-
CID 10687900
(2S)-3-(2,2-Dimethyl-1,1-diphenyl-1-silapropoxy)propane-1,2-diol
CID 10806357
(S)-2-(tert-Butyldiphenylsilanyloxy)propionaldehyde
CID 10828944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid (CID 11232725) is (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The InChIKey is BCEZSELDBRXAQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-15(18(20)21)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid has a molecular weight of 328.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoic acid is sourced from PubChem (CID 11232725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).