[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane

C20H35NOSi — CID 131632175

IUPAC[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CC[C@@H](c2ccccc2)N1)(C(C)C)C(C)C
InChIInChI=1S/C20H35NOSi/c1-15(2)23(16(3)4,17(5)6)22-14-19-12-13-20(21-19)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyHOPMEJCYHDJTOS-PMACEKPBSA-N
MW333.59 g/mol
LogP5.67
Rot. Bonds7

About [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane

[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 131632175) has the molecular formula C20H35NOSi and a molecular weight of 333.59 g/mol. Its IUPAC name is [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID131632175
Molecular FormulaC20H35NOSi
Molecular Weight333.59 g/mol
Exact Mass333.25
IUPAC Name[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CC[C@@H](c2ccccc2)N1)(C(C)C)C(C)C
InChIInChI=1S/C20H35NOSi/c1-15(2)23(16(3)4,17(5)6)22-14-19-12-13-20(21-19)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20-/m0/s1
InChIKeyHOPMEJCYHDJTOS-PMACEKPBSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.59
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R,5R)-1-benzyl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
CID 71625082
4-[(2R,5R)-1-benzhydryl-5-methylpiperazin-2-yl]butoxy-tert-butyl-dimethylsilane
CID 73353427
5-Phenyl-2-pyrrolidinemethanol
CID 69470954
(E,1S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 135001042
2-({[tert-Butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole
CID 58638077
tert-butyl-[[(5S)-3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane
CID 58891728
(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine
CID 59719053
(2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine
CID 66684536
tert-butyl-[(3R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66685016
tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66689125
tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66689839
tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66691149

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane (CID 131632175) is [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1CC[C@@H](c2ccccc2)N1)(C(C)C)C(C)C.
What is the InChIKey of [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is HOPMEJCYHDJTOS-PMACEKPBSA-N. The full InChI is InChI=1S/C20H35NOSi/c1-15(2)23(16(3)4,17(5)6)22-14-19-12-13-20(21-19)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20-/m0/s1.
What are the key properties of [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
[(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 333.59 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-phenylpyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 131632175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).