ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate

C23H29NO3Si — CID 11718177

IUPACethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate
SMILESCCOC(=O)CC(CC#N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-5-26-22(25)18-19(16-17-24)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16,18H2,1-4H3
InChIKeyLCYUEHZHBUPJIK-UHFFFAOYSA-N
MW395.58 g/mol
LogP3.80
Rot. Bonds8

About ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate

ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate (PubChem CID 11718177) has the molecular formula C23H29NO3Si and a molecular weight of 395.58 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate
PubChem CID11718177
Molecular FormulaC23H29NO3Si
Molecular Weight395.58 g/mol
Exact Mass395.19
IUPAC Nameethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate
SMILESCCOC(=O)CC(CC#N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-5-26-22(25)18-19(16-17-24)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16,18H2,1-4H3
InChIKeyLCYUEHZHBUPJIK-UHFFFAOYSA-N
XLogP3.80
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.80
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

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoic acid;ethyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(2,3,4-trimethoxyphenyl)pentanoate
CID 160785231
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-[chloro(methyl)phosphoryl]butanoate
CID 14750058
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
ethyl (3R)-4-cyano-3-methoxybutanoate
CID 90295827
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate?
The IUPAC name of ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate (CID 11718177) is ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate?
The canonical SMILES for ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate is CCOC(=O)CC(CC#N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate?
The InChIKey is LCYUEHZHBUPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3Si/c1-5-26-22(25)18-19(16-17-24)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16,18H2,1-4H3.
What are the key properties of ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate?
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate has a molecular weight of 395.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate is sourced from PubChem (CID 11718177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).