(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one

C18H35NO3Si2 — CID 175916635

IUPAC(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@@H]1NC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO3Si2/c1-17(2,3)23(7,8)21-13-11-12-14-15(16(20)19-14)22-24(9,10)18(4,5)6/h14-15H,13H2,1-10H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyQEMBNRLYXYMDED-LSDHHAIUSA-N
MW369.65 g/mol
LogP3.90
Rot. Bonds4

About (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one (PubChem CID 175916635) has the molecular formula C18H35NO3Si2 and a molecular weight of 369.65 g/mol. Its IUPAC name is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one
PubChem CID175916635
Molecular FormulaC18H35NO3Si2
Molecular Weight369.65 g/mol
Exact Mass369.22
IUPAC Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@@H]1NC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO3Si2/c1-17(2,3)23(7,8)21-13-11-12-14-15(16(20)19-14)22-24(9,10)18(4,5)6/h14-15H,13H2,1-10H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyQEMBNRLYXYMDED-LSDHHAIUSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-(Fluoromethyl)-3-[(triisopropylsilyl)oxy]-2-azetidinone
CID 57784942
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one
CID 100980511
(3R)-3-methyl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10754471
4-Methyl-3-triethylsilyloxyazetidin-2-one
CID 45358291

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one (CID 175916635) is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one is CC(C)(C)[Si](C)(C)OCC#C[C@@H]1NC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one?
The InChIKey is QEMBNRLYXYMDED-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H35NO3Si2/c1-17(2,3)23(7,8)21-13-11-12-14-15(16(20)19-14)22-24(9,10)18(4,5)6/h14-15H,13H2,1-10H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one?
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one has a molecular weight of 369.65 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]azetidin-2-one is sourced from PubChem (CID 175916635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).