(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one

C14H29NO2Si — CID 11780641

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)C[C@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-10(2)8-11-12(9-13(16)15-11)17-18(6,7)14(3,4)5/h10-12H,8-9H2,1-7H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyUOKQUYNQMHTYCR-NEPJUHHUSA-N
MW271.48 g/mol
LogP3.31
Rot. Bonds4

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 11780641) has the molecular formula C14H29NO2Si and a molecular weight of 271.48 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID11780641
Molecular FormulaC14H29NO2Si
Molecular Weight271.48 g/mol
Exact Mass271.20
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)C[C@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-10(2)8-11-12(9-13(16)15-11)17-18(6,7)14(3,4)5/h10-12H,8-9H2,1-7H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyUOKQUYNQMHTYCR-NEPJUHHUSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 53.31
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

(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-one
CID 100991416
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
CID 53253787
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
(3S,3aR,5S,6R,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 11558490
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one (CID 11780641) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)C[C@H]1NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is UOKQUYNQMHTYCR-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H29NO2Si/c1-10(2)8-11-12(9-13(16)15-11)17-18(6,7)14(3,4)5/h10-12H,8-9H2,1-7H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 271.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 11780641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).