(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol

C17H29NO2Si — CID 10542787

IUPAC(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-16-13-18(12-15(16)19)11-14-9-7-6-8-10-14/h6-10,15-16,19H,11-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyNOGVPOUKDSTPPU-HOTGVXAUSA-N
MW307.51 g/mol
LogP3.25
Rot. Bonds4

About (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol

(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol (PubChem CID 10542787) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol
PubChem CID10542787
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-16-13-18(12-15(16)19)11-14-9-7-6-8-10-14/h6-10,15-16,19H,11-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyNOGVPOUKDSTPPU-HOTGVXAUSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.25
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 (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol (CID 10542787) is (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol is CC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol?
The InChIKey is NOGVPOUKDSTPPU-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)21(4,5)20-16-13-18(12-15(16)19)11-14-9-7-6-8-10-14/h6-10,15-16,19H,11-13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol?
(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol has a molecular weight of 307.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-ol is sourced from PubChem (CID 10542787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).