(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol

C28H35NOSi — CID 176747566

IUPAC(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol
SMILESC[Si](C)(C)C[C@@H](O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi/c1-31(2,3)22-27(30)26-20-13-21-29(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-12,14-19,26-27,30H,13,20-22H2,1-3H3/t26-,27-/m1/s1
InChIKeyVCNBSPPYALVHMK-KAYWLYCHSA-N
MW429.68 g/mol
LogP6.14
Rot. Bonds7

About (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol

(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol (PubChem CID 176747566) has the molecular formula C28H35NOSi and a molecular weight of 429.68 g/mol. Its IUPAC name is (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol
PubChem CID176747566
Molecular FormulaC28H35NOSi
Molecular Weight429.68 g/mol
Exact Mass429.25
IUPAC Name(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol
SMILESC[Si](C)(C)C[C@@H](O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi/c1-31(2,3)22-27(30)26-20-13-21-29(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-12,14-19,26-27,30H,13,20-22H2,1-3H3/t26-,27-/m1/s1
InChIKeyVCNBSPPYALVHMK-KAYWLYCHSA-N
XLogP6.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol (CID 176747566) is (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol is C[Si](C)(C)C[C@@H](O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol?
The InChIKey is VCNBSPPYALVHMK-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H35NOSi/c1-31(2,3)22-27(30)26-20-13-21-29(26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-12,14-19,26-27,30H,13,20-22H2,1-3H3/t26-,27-/m1/s1.
What are the key properties of (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol?
(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol has a molecular weight of 429.68 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 176747566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).