ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate

C20H34O4Si — CID 11222352

IUPACethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
SMILESCCOC(=O)C[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-7-23-19(21)15-18(24-25(5,6)20(2,3)4)13-14-22-16-17-11-9-8-10-12-17/h8-12,18H,7,13-16H2,1-6H3/t18-/m1/s1
InChIKeyQQXKAXJBWJOCAX-GOSISDBHSA-N
MW366.57 g/mol
LogP4.94
Rot. Bonds10

About ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate (PubChem CID 11222352) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
PubChem CID11222352
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
SMILESCCOC(=O)C[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-7-23-19(21)15-18(24-25(5,6)20(2,3)4)13-14-22-16-17-11-9-8-10-12-17/h8-12,18H,7,13-16H2,1-6H3/t18-/m1/s1
InChIKeyQQXKAXJBWJOCAX-GOSISDBHSA-N
XLogP4.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-6-phenylmethoxyhexan-2-one
CID 71514831
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentyl]-1,3-dithiolane-2-carboxylate
CID 11123955
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
ethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127412
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(3S,5R,7S,9S,11S)-9-[tert-butyl(dimethyl)silyl]oxy-1,13-bis(phenylmethoxy)-3,11-bis(triethylsilyloxy)tridecane-5,7-diol
CID 102445359
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
CID 101483549
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
diethyl 3-phenylmethoxypentanedioate
CID 73212048
ethyl (5R)-5-hydroxy-3-oxo-7-phenylmethoxyheptanoate
CID 134833162
benzyl 3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate
CID 57057471

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate?
The IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate (CID 11222352) is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate.
What is the SMILES notation for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate?
The canonical SMILES for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate is CCOC(=O)C[C@@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate?
The InChIKey is QQXKAXJBWJOCAX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-7-23-19(21)15-18(24-25(5,6)20(2,3)4)13-14-22-16-17-11-9-8-10-12-17/h8-12,18H,7,13-16H2,1-6H3/t18-/m1/s1.
What are the key properties of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate?
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate has a molecular weight of 366.57 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate is sourced from PubChem (CID 11222352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).