tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane

C28H35NOSi — CID 140928344

IUPACtert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(N2CCC[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H35NOSi/c1-23-17-19-24(20-18-23)29-21-11-12-25(29)22-30-31(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20,25H,11-12,21-22H2,1-4H3/t25-/m0/s1
InChIKeyLJRQIINADAFPDB-VWLOTQADSA-N
MW429.68 g/mol
LogP5.54
Rot. Bonds6

About tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane (PubChem CID 140928344) has the molecular formula C28H35NOSi and a molecular weight of 429.68 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane
PubChem CID140928344
Molecular FormulaC28H35NOSi
Molecular Weight429.68 g/mol
Exact Mass429.25
IUPAC Nametert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(N2CCC[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H35NOSi/c1-23-17-19-24(20-18-23)29-21-11-12-25(29)22-30-31(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20,25H,11-12,21-22H2,1-4H3/t25-/m0/s1
InChIKeyLJRQIINADAFPDB-VWLOTQADSA-N
XLogP5.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 167381124
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane (CID 140928344) is tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane is Cc1ccc(N2CCC[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane?
The InChIKey is LJRQIINADAFPDB-VWLOTQADSA-N. The full InChI is InChI=1S/C28H35NOSi/c1-23-17-19-24(20-18-23)29-21-11-12-25(29)22-30-31(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20,25H,11-12,21-22H2,1-4H3/t25-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane has a molecular weight of 429.68 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 140928344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).