ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate

C23H42O4Si2 — CID 132548533

IUPACethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H42O4Si2/c1-12-25-21(24)20(27-29(10,11)23(5,6)7)19(18-16-14-13-15-17-18)26-28(8,9)22(2,3)4/h13-17,19-20H,12H2,1-11H3
InChIKeyWEPCSWYLYYPQRK-UHFFFAOYSA-N
MW438.76 g/mol
LogP6.70
Rot. Bonds8

About ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate

ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate (PubChem CID 132548533) has the molecular formula C23H42O4Si2 and a molecular weight of 438.76 g/mol. Its IUPAC name is ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
PubChem CID132548533
Molecular FormulaC23H42O4Si2
Molecular Weight438.76 g/mol
Exact Mass438.26
IUPAC Nameethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H42O4Si2/c1-12-25-21(24)20(27-29(10,11)23(5,6)7)19(18-16-14-13-15-17-18)26-28(8,9)22(2,3)4/h13-17,19-20H,12H2,1-11H3
InChIKeyWEPCSWYLYYPQRK-UHFFFAOYSA-N
XLogP6.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-3-phenylsulfanylpropanoate
CID 138975548
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
ethyl (2R)-2-[[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethyl]-ethoxyamino]butanoate
CID 11190937
ethyl (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-phenyl-4-phenylmethoxypentanoate
CID 101186285
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134927879
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134918633
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl (2E,4E,7R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyl-9-phenylnona-2,4-dienoate
CID 102455634
(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
CID 24769790
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-5-phenylpent-2-enoate
CID 102343029
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
S-tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-phenylmethoxypropanethioate
CID 11026896

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate?
The IUPAC name of ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate (CID 132548533) is ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate?
The canonical SMILES for ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate is CCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate?
The InChIKey is WEPCSWYLYYPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O4Si2/c1-12-25-21(24)20(27-29(10,11)23(5,6)7)19(18-16-14-13-15-17-18)26-28(8,9)22(2,3)4/h13-17,19-20H,12H2,1-11H3.
What are the key properties of ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate?
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate has a molecular weight of 438.76 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate is sourced from PubChem (CID 132548533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).