(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol

C19H33NO2Si — CID 10359606

IUPAC(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)[C@@H](C[C@H](C)O)c1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-16(21)13-19(17-9-6-5-7-10-17)23(3,4)15-20-12-8-11-18(20)14-22-2/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3/t16-,18-,19-/m0/s1
InChIKeyIEKWUPJAQSEYGF-WDSOQIARSA-N
MW335.56 g/mol
LogP3.44
Rot. Bonds8

About (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol

(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol (PubChem CID 10359606) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol
PubChem CID10359606
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)[C@@H](C[C@H](C)O)c1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-16(21)13-19(17-9-6-5-7-10-17)23(3,4)15-20-12-8-11-18(20)14-22-2/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3/t16-,18-,19-/m0/s1
InChIKeyIEKWUPJAQSEYGF-WDSOQIARSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol?
The IUPAC name of (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol (CID 10359606) is (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol?
The canonical SMILES for (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol is COC[C@@H]1CCCN1C[Si](C)(C)[C@@H](C[C@H](C)O)c1ccccc1.
What is the InChIKey of (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol?
The InChIKey is IEKWUPJAQSEYGF-WDSOQIARSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-16(21)13-19(17-9-6-5-7-10-17)23(3,4)15-20-12-8-11-18(20)14-22-2/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3/t16-,18-,19-/m0/s1.
What are the key properties of (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol?
(2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol has a molecular weight of 335.56 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-4-phenylbutan-2-ol is sourced from PubChem (CID 10359606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).