1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol

C23H39NO2Si — CID 10023254

IUPAC1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)[C@@H](CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C23H39NO2Si/c1-26-18-21-13-10-16-24(21)19-27(2,3)22(20-11-6-4-7-12-20)17-23(25)14-8-5-9-15-23/h4,6-7,11-12,21-22,25H,5,8-10,13-19H2,1-3H3/t21-,22-/m0/s1
InChIKeyXYYPFLMZHXXFIX-VXKWHMMOSA-N
MW389.66 g/mol
LogP4.75
Rot. Bonds8

About 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol

1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol (PubChem CID 10023254) has the molecular formula C23H39NO2Si and a molecular weight of 389.66 g/mol. Its IUPAC name is 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol
PubChem CID10023254
Molecular FormulaC23H39NO2Si
Molecular Weight389.66 g/mol
Exact Mass389.28
IUPAC Name1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)[C@@H](CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C23H39NO2Si/c1-26-18-21-13-10-16-24(21)19-27(2,3)22(20-11-6-4-7-12-20)17-23(25)14-8-5-9-15-23/h4,6-7,11-12,21-22,25H,5,8-10,13-19H2,1-3H3/t21-,22-/m0/s1
InChIKeyXYYPFLMZHXXFIX-VXKWHMMOSA-N
XLogP4.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 54.75
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

Preussin I
CID 145964355
Preussin K
CID 145966997
Preussin H
CID 145971873
Pyrrolidinium, 1-allyl-2-(1,3-diphenyl-2-hydroxypropyl)-1-methyl-, iodide
CID 3061841
Pyrrolidinium, 1-butyl-2-(1,3-diphenyl-2-hydroxypropyl)-1-methyl-, iodide
CID 3061843
(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 97470104
(2S,3S)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 97470432
[2-(Methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(1-phenylethyl)silane
CID 5232942
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(phenylmethyl)silane
CID 10107896
benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane
CID 10107897
Lithium [2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(phenylmethyl)silane
CID 12048666
1-[(Benzyldimethylsilyl)methyl)-2-(methoxymethyl) pyrrolidine
CID 12048667

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol (CID 10023254) is 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol is COC[C@@H]1CCCN1C[Si](C)(C)[C@@H](CC1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol?
The InChIKey is XYYPFLMZHXXFIX-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H39NO2Si/c1-26-18-21-13-10-16-24(21)19-27(2,3)22(20-11-6-4-7-12-20)17-23(25)14-8-5-9-15-23/h4,6-7,11-12,21-22,25H,5,8-10,13-19H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol?
1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol has a molecular weight of 389.66 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol is sourced from PubChem (CID 10023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).