3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal

C16H31NO3Si — CID 56616376

IUPAC3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)C[C@@H]1[C@H](CCO)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)17-13(10-16(4,5)11-19)12(8-9-18)14(17)20/h11-13,18H,8-10H2,1-7H3/t12-,13+/m0/s1
InChIKeyOLGHLYVSSIDKKS-QWHCGFSZSA-N
MW313.51 g/mol
LogP2.82
Rot. Bonds6

About 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal

3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal (PubChem CID 56616376) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal
PubChem CID56616376
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)C[C@@H]1[C@H](CCO)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)17-13(10-16(4,5)11-19)12(8-9-18)14(17)20/h11-13,18H,8-10H2,1-7H3/t12-,13+/m0/s1
InChIKeyOLGHLYVSSIDKKS-QWHCGFSZSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal (CID 56616376) is 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal is CC(C)(C=O)C[C@@H]1[C@H](CCO)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal?
The InChIKey is OLGHLYVSSIDKKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)17-13(10-16(4,5)11-19)12(8-9-18)14(17)20/h11-13,18H,8-10H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal?
3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal has a molecular weight of 313.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 56616376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).