(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one

C17H25NO2Si — CID 53254254

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-17(2,3)21(4,5)20-15-14(18-16(15)19)12-11-13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,18,19)/b12-11+/t14-,15+/m1/s1
InChIKeyVKQXYRLFIRMAJV-BOXZDTQESA-N
MW303.48 g/mol
LogP3.59
Rot. Bonds4

About (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 53254254) has the molecular formula C17H25NO2Si and a molecular weight of 303.48 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID53254254
Molecular FormulaC17H25NO2Si
Molecular Weight303.48 g/mol
Exact Mass303.17
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-17(2,3)21(4,5)20-15-14(18-16(15)19)12-11-13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,18,19)/b12-11+/t14-,15+/m1/s1
InChIKeyVKQXYRLFIRMAJV-BOXZDTQESA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 10806744
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
CID 53254447
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 11013878
(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 11327996
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
CID 70500389

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 53254254) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is VKQXYRLFIRMAJV-BOXZDTQESA-N. The full InChI is InChI=1S/C17H25NO2Si/c1-17(2,3)21(4,5)20-15-14(18-16(15)19)12-11-13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,18,19)/b12-11+/t14-,15+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 303.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 53254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).