tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane

C24H33NOSi — CID 167381101

IUPACtert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
SMILESCC12CCCN1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2
InChIInChI=1S/C24H33NOSi/c1-23(2,3)27(21-12-7-5-8-13-21,22-14-9-6-10-15-22)26-20-18-24(4)16-11-17-25(24)19-20/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,24?/m0/s1
InChIKeyDJOVGDZANBAJRJ-QHELBMECSA-N
MW379.62 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane

tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane (PubChem CID 167381101) has the molecular formula C24H33NOSi and a molecular weight of 379.62 g/mol. Its IUPAC name is tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
PubChem CID167381101
Molecular FormulaC24H33NOSi
Molecular Weight379.62 g/mol
Exact Mass379.23
IUPAC Nametert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
SMILESCC12CCCN1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2
InChIInChI=1S/C24H33NOSi/c1-23(2,3)27(21-12-7-5-8-13-21,22-14-9-6-10-15-22)26-20-18-24(4)16-11-17-25(24)19-20/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,24?/m0/s1
InChIKeyDJOVGDZANBAJRJ-QHELBMECSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 54.19
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

2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 174057201
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
CID 177203387
tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane
CID 15427815
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 22243029

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane (CID 167381101) is tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane is CC12CCCN1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane?
The InChIKey is DJOVGDZANBAJRJ-QHELBMECSA-N. The full InChI is InChI=1S/C24H33NOSi/c1-23(2,3)27(21-12-7-5-8-13-21,22-14-9-6-10-15-22)26-20-18-24(4)16-11-17-25(24)19-20/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,24?/m0/s1.
What are the key properties of tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane?
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane has a molecular weight of 379.62 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane is sourced from PubChem (CID 167381101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).