tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane

C18H30O4Si — CID 11393604

IUPACtert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CO2)cc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)22-17(16-13-21-16)12-20-11-14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1
InChIKeySDKULJSRWSJWRD-IAGOWNOFSA-N
MW338.52 g/mol
LogP4.00
Rot. Bonds8

About tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane

tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane (PubChem CID 11393604) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
PubChem CID11393604
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(COC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CO2)cc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)22-17(16-13-21-16)12-20-11-14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1
InChIKeySDKULJSRWSJWRD-IAGOWNOFSA-N
XLogP4.00
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
CID 99772362
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
(2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 102464243
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine
CID 174144243

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane (CID 11393604) is tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane is COc1ccc(COC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2CO2)cc1.
What is the InChIKey of tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane?
The InChIKey is SDKULJSRWSJWRD-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)22-17(16-13-21-16)12-20-11-14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane has a molecular weight of 338.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11393604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).