3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol

C18H31NO2Si — CID 135019735

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol
SMILESC[C@H](c1ccccc1)N1CC(O)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H31NO2Si/c1-15(16-10-8-7-9-11-16)19-12-18(20,13-19)14-21-22(5,6)17(2,3)4/h7-11,15,20H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyCMFRBOUOPVRBOY-OAHLLOKOSA-N
MW321.54 g/mol
LogP3.82
Rot. Bonds5

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol (PubChem CID 135019735) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol
PubChem CID135019735
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol
SMILESC[C@H](c1ccccc1)N1CC(O)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H31NO2Si/c1-15(16-10-8-7-9-11-16)19-12-18(20,13-19)14-21-22(5,6)17(2,3)4/h7-11,15,20H,12-14H2,1-6H3/t15-/m1/s1
InChIKeyCMFRBOUOPVRBOY-OAHLLOKOSA-N
XLogP3.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate;tert-butyl (3S)-3-(hydroxymethyl)-4-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 160828848
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 167312247
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 154429024
(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 175719667
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
CID 46845307
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
methyl (1S,5R)-5-(methoxymethyl)-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 90166249
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
CID 15108856

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol (CID 135019735) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol is C[C@H](c1ccccc1)N1CC(O)(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol?
The InChIKey is CMFRBOUOPVRBOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-15(16-10-8-7-9-11-16)19-12-18(20,13-19)14-21-22(5,6)17(2,3)4/h7-11,15,20H,12-14H2,1-6H3/t15-/m1/s1.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol has a molecular weight of 321.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol is sourced from PubChem (CID 135019735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).