(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one

C24H43NO3Si2 — CID 102015004

IUPAC(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H43NO3Si2/c1-23(2,3)29(7,8)27-17-20-21(18-28-30(9,10)24(4,5)6)25(22(20)26)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m1/s1
InChIKeyXZQCOSAFYSKOGI-NHCUHLMSSA-N
MW449.78 g/mol
LogP6.06
Rot. Bonds8

About (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one

(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one (PubChem CID 102015004) has the molecular formula C24H43NO3Si2 and a molecular weight of 449.78 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
PubChem CID102015004
Molecular FormulaC24H43NO3Si2
Molecular Weight449.78 g/mol
Exact Mass449.28
IUPAC Name(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H43NO3Si2/c1-23(2,3)29(7,8)27-17-20-21(18-28-30(9,10)24(4,5)6)25(22(20)26)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m1/s1
InChIKeyXZQCOSAFYSKOGI-NHCUHLMSSA-N
XLogP6.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.78
LogP ≤ 56.06
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

(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)azetidin-2-one
CID 135070889
(3R,4S)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)azetidin-2-one
CID 135070890
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 15352612
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
CID 15867560
(2R)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 15867574
(2S)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 15867575
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 102014999
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 102015000

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one (CID 102015004) is (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The InChIKey is XZQCOSAFYSKOGI-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H43NO3Si2/c1-23(2,3)29(7,8)27-17-20-21(18-28-30(9,10)24(4,5)6)25(22(20)26)16-19-14-12-11-13-15-19/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m1/s1.
What are the key properties of (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one has a molecular weight of 449.78 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one is sourced from PubChem (CID 102015004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).