[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol

C23H33NO2Si — CID 102172046

IUPAC[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-20-16-21(24-17-20)23(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyJJNFQHDKKWZYEH-RTWAWAEBSA-N
MW383.61 g/mol
LogP4.67
Rot. Bonds5

About [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol

[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol (PubChem CID 102172046) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol
PubChem CID102172046
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-20-16-21(24-17-20)23(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyJJNFQHDKKWZYEH-RTWAWAEBSA-N
XLogP4.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenylprolinol
CID 204386
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
CID 2724899
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, hydrochloride
CID 204385
2-({1-[Hydroxy(phenyl)methyl]butyl}amino)-1-phenyl-1-pentanol
CID 1726485
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 11198150
(S)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol
CID 11616543
(S)-(t-Butyldimethylsiloxy)-diphenylmethyl)pyrrolidine
CID 12000489
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 16218310
(R)-Diphenylprolinol tert-butyldimethylsilyl ether
CID 71310995
(2S)-2-{Bis[4-(heptadecafluorooctyl)phenyl][(triethylsilyl)oxy]methyl}pyrrolidine
CID 138396382
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (R)-
CID 7045371
3-Pyrrolidinol, 5-cyclohexyl-3-phenyl-, hydrochloride
CID 200010

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol (CID 102172046) is [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol is CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is JJNFQHDKKWZYEH-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-20-16-21(24-17-20)23(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,16-17H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol?
[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 383.61 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 102172046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).