(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one

C20H25NO2Si — CID 123181758

IUPAC(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1C(=O)C[C@H]1CO
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)21-16(15-22)14-19(21)23/h4-13,16,22H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyYFSSTNJIVXGSMO-INIZCTEOSA-N
MW339.51 g/mol
LogP2.14
Rot. Bonds4

About (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one

(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one (PubChem CID 123181758) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one
PubChem CID123181758
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Name(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1C(=O)C[C@H]1CO
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)21-16(15-22)14-19(21)23/h4-13,16,22H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyYFSSTNJIVXGSMO-INIZCTEOSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one (CID 123181758) is (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1C(=O)C[C@H]1CO.
What is the InChIKey of (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is YFSSTNJIVXGSMO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-20(2,3)24(17-10-6-4-7-11-17,18-12-8-5-9-13-18)21-16(15-22)14-19(21)23/h4-13,16,22H,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one?
(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 339.51 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 123181758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).