(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one

C19H33NO2Si2 — CID 102184862

IUPAC(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H33NO2Si2/c1-14-16(23(5,6)15-12-10-9-11-13-15)18(20-17(14)21)22-24(7,8)19(2,3)4/h9-14,16,18H,1-8H3,(H,20,21)/t14-,16-,18+/m0/s1
InChIKeyUOYPNWAAQHXPIG-QILLFSRXSA-N
MW363.65 g/mol
LogP4.09
Rot. Bonds4

About (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one

(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one (PubChem CID 102184862) has the molecular formula C19H33NO2Si2 and a molecular weight of 363.65 g/mol. Its IUPAC name is (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
PubChem CID102184862
Molecular FormulaC19H33NO2Si2
Molecular Weight363.65 g/mol
Exact Mass363.20
IUPAC Name(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H33NO2Si2/c1-14-16(23(5,6)15-12-10-9-11-13-15)18(20-17(14)21)22-24(7,8)19(2,3)4/h9-14,16,18H,1-8H3,(H,20,21)/t14-,16-,18+/m0/s1
InChIKeyUOYPNWAAQHXPIG-QILLFSRXSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
tert-butyl-dimethyl-[(1S,2Z,3R)-3-methyl-2-(triphenylsilylmethylidene)cyclobutyl]oxysilane
CID 132503824
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one
CID 59891860
(3R,6R,8E,11R)-6-[tert-butyl(dimethyl)silyl]oxy-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 131746039
(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
CID 10617741
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one (CID 102184862) is (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one is C[C@@H]1C(=O)N[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
The InChIKey is UOYPNWAAQHXPIG-QILLFSRXSA-N. The full InChI is InChI=1S/C19H33NO2Si2/c1-14-16(23(5,6)15-12-10-9-11-13-15)18(20-17(14)21)22-24(7,8)19(2,3)4/h9-14,16,18H,1-8H3,(H,20,21)/t14-,16-,18+/m0/s1.
What are the key properties of (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one?
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one has a molecular weight of 363.65 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 102184862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).