(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

C20H31NO3Si — CID 11013878

IUPAC(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-15-14-21-17(18(23-4)19(21)22)13-12-16-10-8-7-9-11-16/h7-13,17-18H,14-15H2,1-6H3/b13-12+/t17-,18+/m0/s1
InChIKeyJFVMUPHRZXQTJD-UCMOUWFMSA-N
MW361.56 g/mol
LogP3.95
Rot. Bonds7

About (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 11013878) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID11013878
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Name(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@H]1C(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-15-14-21-17(18(23-4)19(21)22)13-12-16-10-8-7-9-11-16/h7-13,17-18H,14-15H2,1-6H3/b13-12+/t17-,18+/m0/s1
InChIKeyJFVMUPHRZXQTJD-UCMOUWFMSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
CID 53254447
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
methyl (2E)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 101432797
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
CID 15072145
(1S,4S,5S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-6-azabicyclo[3.2.0]hept-2-en-7-one
CID 102066615
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 53254258
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 11013878) is (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is CO[C@H]1C(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is JFVMUPHRZXQTJD-UCMOUWFMSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-20(2,3)25(5,6)24-15-14-21-17(18(23-4)19(21)22)13-12-16-10-8-7-9-11-16/h7-13,17-18H,14-15H2,1-6H3/b13-12+/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 361.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 11013878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).