ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate

C19H31NO4Si — CID 10937422

IUPACethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
SMILESCCOC(=O)C[C@@H](/C=N/c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO4Si/c1-8-23-18(21)13-17(24-25(6,7)19(2,3)4)14-20-15-9-11-16(22-5)12-10-15/h9-12,14,17H,8,13H2,1-7H3/b20-14+/t17-/m0/s1
InChIKeyZSRFCXMEAPGEHS-TYSUYXETSA-N
MW365.55 g/mol
LogP4.74
Rot. Bonds8

About ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate (PubChem CID 10937422) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
PubChem CID10937422
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
SMILESCCOC(=O)C[C@@H](/C=N/c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO4Si/c1-8-23-18(21)13-17(24-25(6,7)19(2,3)4)14-20-15-9-11-16(22-5)12-10-15/h9-12,14,17H,8,13H2,1-7H3/b20-14+/t17-/m0/s1
InChIKeyZSRFCXMEAPGEHS-TYSUYXETSA-N
XLogP4.74
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
CID 10957339
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
CID 11703319
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-[(4-methoxyphenyl)iminomethyl]-1-methyl-4-oxocyclobut-2-ene-1-carboxylate
CID 102019355
ethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpentanoate
CID 102382083
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(4-methoxyphenyl)-5-oxopentanal
CID 11154956
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
CID 11075965
(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
CID 101376484
ethyl (E,4R,18R)-18-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]nonadec-2-enoate
CID 102142229
CID 11478848
CID 11478848

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate?
The IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate (CID 10937422) is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate.
What is the SMILES notation for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate?
The canonical SMILES for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate is CCOC(=O)C[C@@H](/C=N/c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate?
The InChIKey is ZSRFCXMEAPGEHS-TYSUYXETSA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-8-23-18(21)13-17(24-25(6,7)19(2,3)4)14-20-15-9-11-16(22-5)12-10-15/h9-12,14,17H,8,13H2,1-7H3/b20-14+/t17-/m0/s1.
What are the key properties of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate?
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate has a molecular weight of 365.55 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate is sourced from PubChem (CID 10937422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).