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

C19H41NO3Si2 — CID 91357845

IUPAC(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO3Si2/c1-17(2,3)24(9,10)22-13-19(7,8)15-14(16(21)20-15)23-25(11,12)18(4,5)6/h14-15H,13H2,1-12H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyDRCSPWWKBNZRDK-HUUCEWRRSA-N
MW387.71 g/mol
LogP4.92
Rot. Bonds6

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

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one (PubChem CID 91357845) has the molecular formula C19H41NO3Si2 and a molecular weight of 387.71 g/mol. Its IUPAC name is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one
PubChem CID91357845
Molecular FormulaC19H41NO3Si2
Molecular Weight387.71 g/mol
Exact Mass387.26
IUPAC Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO3Si2/c1-17(2,3)24(9,10)22-13-19(7,8)15-14(16(21)20-15)23-25(11,12)18(4,5)6/h14-15H,13H2,1-12H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyDRCSPWWKBNZRDK-HUUCEWRRSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one (CID 91357845) is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one is CC(C)(CO[Si](C)(C)C(C)(C)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-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one?
The InChIKey is DRCSPWWKBNZRDK-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H41NO3Si2/c1-17(2,3)24(9,10)22-13-19(7,8)15-14(16(21)20-15)23-25(11,12)18(4,5)6/h14-15H,13H2,1-12H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one?
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one has a molecular weight of 387.71 g/mol, XLogP of 4.92, 6 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-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]azetidin-2-one is sourced from PubChem (CID 91357845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).