(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one

C17H29NO2Si2 — CID 102062905

IUPAC(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
SMILESC[Si](C)(C)C(N1C[C@H](OCc2ccccc2)C1=O)[Si](C)(C)C
InChIInChI=1S/C17H29NO2Si2/c1-21(2,3)17(22(4,5)6)18-12-15(16(18)19)20-13-14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m0/s1
InChIKeyLAOSEIRBJXYNIK-HNNXBMFYSA-N
MW335.60 g/mol
LogP3.54
Rot. Bonds6

About (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one

(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 102062905) has the molecular formula C17H29NO2Si2 and a molecular weight of 335.60 g/mol. Its IUPAC name is (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
PubChem CID102062905
Molecular FormulaC17H29NO2Si2
Molecular Weight335.60 g/mol
Exact Mass335.17
IUPAC Name(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
SMILESC[Si](C)(C)C(N1C[C@H](OCc2ccccc2)C1=O)[Si](C)(C)C
InChIInChI=1S/C17H29NO2Si2/c1-21(2,3)17(22(4,5)6)18-12-15(16(18)19)20-13-14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m0/s1
InChIKeyLAOSEIRBJXYNIK-HNNXBMFYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 172801831
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(3R)-3-phenylmethoxyoxan-4-one
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(3S)-3-phenylmethoxyazetidin-2-one
CID 10773649
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
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(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
CID 146795417
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
CID 101372634
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenylmethoxy-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10720985
(3aS,4S,5S,6S,6aR)-4,5,6-tris(phenylmethoxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole
CID 122233273
(1R,5S)-2-methyl-4-phenylmethoxy-2-azabicyclo[3.2.0]heptane-3-carbaldehyde
CID 170111325
4,4-dideuterio-2-phenylmethoxycyclopentan-1-one
CID 171581931

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one (CID 102062905) is (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one is C[Si](C)(C)C(N1C[C@H](OCc2ccccc2)C1=O)[Si](C)(C)C.
What is the InChIKey of (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is LAOSEIRBJXYNIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29NO2Si2/c1-21(2,3)17(22(4,5)6)18-12-15(16(18)19)20-13-14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-6H3/t15-/m0/s1.
What are the key properties of (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one?
(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 335.60 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 102062905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).