ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

C21H28O3Si — CID 11210501

IUPACethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-6-23-20(22)17(2)24-25(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1
InChIKeyYASBFNGFMQZSHV-KRWDZBQOSA-N
MW356.54 g/mol
LogP3.51
Rot. Bonds6

About ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 11210501) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID11210501
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Nameethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-6-23-20(22)17(2)24-25(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1
InChIKeyYASBFNGFMQZSHV-KRWDZBQOSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 11210501) is ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is CCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is YASBFNGFMQZSHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-6-23-20(22)17(2)24-25(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1.
What are the key properties of ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 356.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 11210501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).