1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one

C11H23NO3Si — CID 57138276

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)O
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)16(4,5)12-8(6-9(12)13)7-10(14)15/h8,10,14-15H,6-7H2,1-5H3
InChIKeyKEPKPNBEBQIZNK-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.29
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one (PubChem CID 57138276) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
PubChem CID57138276
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)O
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)16(4,5)12-8(6-9(12)13)7-10(14)15/h8,10,14-15H,6-7H2,1-5H3
InChIKeyKEPKPNBEBQIZNK-UHFFFAOYSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
CID 12804719
1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one
CID 57105900
(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
CID 102594612
benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
CID 70489460
ethyl (3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-difluoro-3-hydroxypropanoate
CID 10315022
(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide
CID 53468918
(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 23239583
1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one
CID 13219686
(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
CID 18632702
2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid
CID 12810778
(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10421900
(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10037438

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one (CID 57138276) is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)CC1CC(O)O.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one?
The InChIKey is KEPKPNBEBQIZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-11(2,3)16(4,5)12-8(6-9(12)13)7-10(14)15/h8,10,14-15H,6-7H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one has a molecular weight of 245.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one is sourced from PubChem (CID 57138276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).