methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate

C23H41NO4Si — CID 10836061

IUPACmethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate
SMILESCOC(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C(CCOCc1ccccc1)N(C)C
InChIInChI=1S/C23H41NO4Si/c1-18(28-29(8,9)23(2,3)4)21(22(25)26-7)20(24(5)6)15-16-27-17-19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3
InChIKeyNVJQWYHJINTRGT-UHFFFAOYSA-N
MW423.67 g/mol
LogP4.72
Rot. Bonds11

About methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate

methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate (PubChem CID 10836061) has the molecular formula C23H41NO4Si and a molecular weight of 423.67 g/mol. Its IUPAC name is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate.

Molecular Properties

Compound Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate
PubChem CID10836061
Molecular FormulaC23H41NO4Si
Molecular Weight423.67 g/mol
Exact Mass423.28
IUPAC Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate
SMILESCOC(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C(CCOCc1ccccc1)N(C)C
InChIInChI=1S/C23H41NO4Si/c1-18(28-29(8,9)23(2,3)4)21(22(25)26-7)20(24(5)6)15-16-27-17-19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3
InChIKeyNVJQWYHJINTRGT-UHFFFAOYSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3R,4S)-2,4-dimethyl-5-phenylmethoxy-3-tri(propan-2-yl)silyloxypentanoate
CID 42600417
benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 134884035
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-phenylmethoxypentanoate
CID 134970525
methyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]pent-4-enoate
CID 135009486
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate
CID 14658468
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
methyl (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-phenylmethoxyoct-7-enoate
CID 11475273
Benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 13018172
benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504340
Benzyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate
CID 13876311
Methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate
CID 14348478
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[hydroxy(phenylmethoxycarbonyl)amino]methyl]butanoate
CID 57241135

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate?
The IUPAC name of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate (CID 10836061) is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate.
What is the SMILES notation for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate?
The canonical SMILES for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate is COC(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C(CCOCc1ccccc1)N(C)C.
What is the InChIKey of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate?
The InChIKey is NVJQWYHJINTRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4Si/c1-18(28-29(8,9)23(2,3)4)21(22(25)26-7)20(24(5)6)15-16-27-17-19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3.
What are the key properties of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate?
methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate has a molecular weight of 423.67 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate is sourced from PubChem (CID 10836061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).