methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate

C21H30O3Si — CID 132990782

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
SMILESCOC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C21H30O3Si/c1-20(2,3)25(6,7)24-21(4,15-19(22)23-5)18-13-12-16-10-8-9-11-17(16)14-18/h8-14H,15H2,1-7H3/t21-/m0/s1
InChIKeyYWMXUHKCMWIGAH-NRFANRHFSA-N
MW358.55 g/mol
LogP5.64
Rot. Bonds5

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate (PubChem CID 132990782) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
PubChem CID132990782
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
SMILESCOC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C21H30O3Si/c1-20(2,3)25(6,7)24-21(4,15-19(22)23-5)18-13-12-16-10-8-9-11-17(16)14-18/h8-14H,15H2,1-7H3/t21-/m0/s1
InChIKeyYWMXUHKCMWIGAH-NRFANRHFSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
dimethyl 2-(benzhydrylideneamino)-2-naphthalen-2-ylbutanedioate
CID 164888089
2-[2-methyl-1-(2-methyl-2-naphthalen-2-ylbutoxy)butan-2-yl]naphthalene
CID 57148358
[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate
CID 170153493
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-(4-nitrophenyl)butanoate
CID 10761490
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
1-(2-naphthalen-2-ylbutan-2-yloxycarbonyl)cyclopentane-1-carboxylic acid
CID 170443109
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate (CID 132990782) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate is COC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate?
The InChIKey is YWMXUHKCMWIGAH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-20(2,3)25(6,7)24-21(4,15-19(22)23-5)18-13-12-16-10-8-9-11-17(16)14-18/h8-14H,15H2,1-7H3/t21-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate has a molecular weight of 358.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate is sourced from PubChem (CID 132990782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).