4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol

C25H37NO2Si — CID 102297275

IUPAC4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](OC[C@H]1CCN[C@@H]1CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-25(2,3)29(22-12-6-4-7-13-22,23-14-8-5-9-15-23)28-20-21-17-18-26-24(21)16-10-11-19-27/h4-9,12-15,21,24,26-27H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1
InChIKeyBCYIDXRRQVLYGL-ZJSXRUAMSA-N
MW411.66 g/mol
LogP3.70
Rot. Bonds9

About 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol

4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol (PubChem CID 102297275) has the molecular formula C25H37NO2Si and a molecular weight of 411.66 g/mol. Its IUPAC name is 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol
PubChem CID102297275
Molecular FormulaC25H37NO2Si
Molecular Weight411.66 g/mol
Exact Mass411.26
IUPAC Name4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](OC[C@H]1CCN[C@@H]1CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-25(2,3)29(22-12-6-4-7-13-22,23-14-8-5-9-15-23)28-20-21-17-18-26-24(21)16-10-11-19-27/h4-9,12-15,21,24,26-27H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1
InChIKeyBCYIDXRRQVLYGL-ZJSXRUAMSA-N
XLogP3.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.66
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 10195175
CID 10195175
CID 134845057
CID 134845057
CID 134845058
CID 134845058
CID 138981412
CID 138981412
CID 154712402
CID 154712402
CID 154712403
CID 154712403
CID 10244848
CID 10244848
CID 18669543
CID 18669543
CID 18669555
CID 18669555
CID 23563608
CID 23563608
CID 57108418
CID 57108418
CID 70029436
CID 70029436

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol?
The IUPAC name of 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol (CID 102297275) is 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol?
The canonical SMILES for 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol is CC(C)(C)[Si](OC[C@H]1CCN[C@@H]1CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol?
The InChIKey is BCYIDXRRQVLYGL-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H37NO2Si/c1-25(2,3)29(22-12-6-4-7-13-22,23-14-8-5-9-15-23)28-20-21-17-18-26-24(21)16-10-11-19-27/h4-9,12-15,21,24,26-27H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1.
What are the key properties of 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol?
4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol has a molecular weight of 411.66 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]butan-1-ol is sourced from PubChem (CID 102297275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).