[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane

C36H39NOSi — CID 177392334

IUPAC[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C1=CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39NOSi/c1-39(33-24-13-5-14-25-33,34-26-15-6-16-27-34)38-36(30-18-7-2-8-19-30,31-20-9-3-10-21-31)35-28-17-29-37(35)32-22-11-4-12-23-32/h2-3,5-10,13-16,18-22,24-27,35H,4,11-12,17,23,28-29H2,1H3/t35-/m0/s1
InChIKeyOTVJVQCXYGWERQ-DHUJRADRSA-N
MW529.80 g/mol
LogP7.26
Rot. Bonds8

About [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane

[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane (PubChem CID 177392334) has the molecular formula C36H39NOSi and a molecular weight of 529.80 g/mol. Its IUPAC name is [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane.

Molecular Properties

Compound Name[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
PubChem CID177392334
Molecular FormulaC36H39NOSi
Molecular Weight529.80 g/mol
Exact Mass529.28
IUPAC Name[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C1=CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H39NOSi/c1-39(33-24-13-5-14-25-33,34-26-15-6-16-27-34)38-36(30-18-7-2-8-19-30,31-20-9-3-10-21-31)35-28-17-29-37(35)32-22-11-4-12-23-32/h2-3,5-10,13-16,18-22,24-27,35H,4,11-12,17,23,28-29H2,1H3/t35-/m0/s1
InChIKeyOTVJVQCXYGWERQ-DHUJRADRSA-N
XLogP7.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.80
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 132597649
N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
CID 10661477
(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
CID 10494163
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol
CID 134848171
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
trimethyl-[[(2S)-1-[(4S,5R,6R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 102580762
(1R,8aS)-1-[methyl(diphenyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11068140
[(Z)-2-(cyclohexen-1-yl)ethenyl]-methyl-diphenylsilane
CID 101364519
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
CID 102133636
tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane
CID 140928344

Frequently Asked Questions

What is the IUPAC name of [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane?
The IUPAC name of [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane (CID 177392334) is [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane.
What is the SMILES notation for [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane?
The canonical SMILES for [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane is C[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C1=CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane?
The InChIKey is OTVJVQCXYGWERQ-DHUJRADRSA-N. The full InChI is InChI=1S/C36H39NOSi/c1-39(33-24-13-5-14-25-33,34-26-15-6-16-27-34)38-36(30-18-7-2-8-19-30,31-20-9-3-10-21-31)35-28-17-29-37(35)32-22-11-4-12-23-32/h2-3,5-10,13-16,18-22,24-27,35H,4,11-12,17,23,28-29H2,1H3/t35-/m0/s1.
What are the key properties of [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane?
[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane has a molecular weight of 529.80 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane is sourced from PubChem (CID 177392334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).