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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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).