[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol

C30H45NO2Si — CID 53309773

IUPAC[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol
SMILESCC1(C)[C@@H](CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H45NO2Si/c1-28(2,3)34(6,7)33-22-25-19-14-20-31(25)21-26-27(29(26,4)5)30(32,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,25-27,32H,14,19-22H2,1-7H3/t25-,26-,27+/m0/s1
InChIKeyPPHDQVLMJMFGAZ-GMQQYTKMSA-N
MW479.78 g/mol
LogP6.68
Rot. Bonds8

About [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol

[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol (PubChem CID 53309773) has the molecular formula C30H45NO2Si and a molecular weight of 479.78 g/mol. Its IUPAC name is [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol
PubChem CID53309773
Molecular FormulaC30H45NO2Si
Molecular Weight479.78 g/mol
Exact Mass479.32
IUPAC Name[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol
SMILESCC1(C)[C@@H](CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H45NO2Si/c1-28(2,3)34(6,7)33-22-25-19-14-20-31(25)21-26-27(29(26,4)5)30(32,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,25-27,32H,14,19-22H2,1-7H3/t25-,26-,27+/m0/s1
InChIKeyPPHDQVLMJMFGAZ-GMQQYTKMSA-N
XLogP6.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853009
(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853010
(1-Butylpyrrolidin-2-yl)(diphenyl)methanol
CID 204390
1-{2-[Hydroxy(diphenyl)methyl]pyrrolidin-1-yl}-2-methylpropan-2-ol
CID 139060777
(Rac) trans 2-{cyclopropylmethyl-[4-(2,2,2-trifluoro-1-triethylsilanyloxy-1-trifluoromethyl-ethyl)-cyclohexyl]-amino}-1-phenyl-ethanol
CID 87823967
[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol
CID 11851098
1-[2-[Hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 91158319
[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol
CID 101268191
trimethyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 101799641
bis(4-tert-butylphenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 134842589
tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane
CID 134843764

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol?
The IUPAC name of [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol (CID 53309773) is [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol.
What is the SMILES notation for [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol?
The canonical SMILES for [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol is CC1(C)[C@@H](CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol?
The InChIKey is PPHDQVLMJMFGAZ-GMQQYTKMSA-N. The full InChI is InChI=1S/C30H45NO2Si/c1-28(2,3)34(6,7)33-22-25-19-14-20-31(25)21-26-27(29(26,4)5)30(32,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,25-27,32H,14,19-22H2,1-7H3/t25-,26-,27+/m0/s1.
What are the key properties of [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol?
[(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol has a molecular weight of 479.78 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol is sourced from PubChem (CID 53309773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).