[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol

C18H31NO2Si — CID 11186323

IUPAC[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyNMJXKPOVBRWNHU-SJORKVTESA-N
MW321.54 g/mol
LogP3.64
Rot. Bonds5

About [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol

[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol (PubChem CID 11186323) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
PubChem CID11186323
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC Name[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyNMJXKPOVBRWNHU-SJORKVTESA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 9883791
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389575
2-(1-Benzylpyrrolidin-2-yl)propan-2-ol
CID 22278632
(2R,3R,4S)-1-benzyl-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-3,4-diol
CID 44238158
(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidine-3,4-diol
CID 44568502
3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-1-(phenylmethyl)-, (2S-(22alpha(R*),3beta,4beta))-
CID 451999
N-Benzyl-1,4-dideoxy-1,4-imino-D-ribitol
CID 452007
N-Benzyl-1,4-dideoxy-1,4-imino-L-ribitol
CID 452010
(1-Benzylpyrrolidin-2-yl)methanol
CID 562951
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(2-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389574
1-Benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol (CID 11186323) is [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The InChIKey is NMJXKPOVBRWNHU-SJORKVTESA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m1/s1.
What are the key properties of [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
[(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol has a molecular weight of 321.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 11186323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).