tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane

C22H39NOSi — CID 138981268

IUPACtert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane
SMILESCN1CCC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NOSi/c1-22(2,3)25(5,6)24-21(18-20-15-11-17-23(20)4)16-10-14-19-12-8-7-9-13-19/h7-9,12-13,20-21H,10-11,14-18H2,1-6H3/t20-,21+/m0/s1
InChIKeyAKTPGSJCPWUOLX-LEWJYISDSA-N
MW361.65 g/mol
LogP5.88
Rot. Bonds8

About tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane (PubChem CID 138981268) has the molecular formula C22H39NOSi and a molecular weight of 361.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane
PubChem CID138981268
Molecular FormulaC22H39NOSi
Molecular Weight361.65 g/mol
Exact Mass361.28
IUPAC Nametert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane
SMILESCN1CCC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NOSi/c1-22(2,3)25(5,6)24-21(18-20-15-11-17-23(20)4)16-10-14-19-12-8-7-9-13-19/h7-9,12-13,20-21H,10-11,14-18H2,1-6H3/t20-,21+/m0/s1
InChIKeyAKTPGSJCPWUOLX-LEWJYISDSA-N
XLogP5.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.65
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane 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 tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane (CID 138981268) is tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane is CN1CCC[C@H]1C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane?
The InChIKey is AKTPGSJCPWUOLX-LEWJYISDSA-N. The full InChI is InChI=1S/C22H39NOSi/c1-22(2,3)25(5,6)24-21(18-20-15-11-17-23(20)4)16-10-14-19-12-8-7-9-13-19/h7-9,12-13,20-21H,10-11,14-18H2,1-6H3/t20-,21+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane has a molecular weight of 361.65 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-[(2S)-1-methylpyrrolidin-2-yl]-5-phenylpentan-2-yl]oxysilane is sourced from PubChem (CID 138981268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).