[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C25H35NO2Si — CID 167381124

IUPAC[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](OCC1CC[C@@]2(CO)CCCN12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2Si/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-19-21-15-17-25(20-27)16-10-18-26(21)25/h4-9,11-14,21,27H,10,15-20H2,1-3H3/t21?,25-/m1/s1
InChIKeyRFMAKPJNBOXLLL-UIDYPRJRSA-N
MW409.65 g/mol
LogP3.55
Rot. Bonds6

About [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 167381124) has the molecular formula C25H35NO2Si and a molecular weight of 409.65 g/mol. Its IUPAC name is [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID167381124
Molecular FormulaC25H35NO2Si
Molecular Weight409.65 g/mol
Exact Mass409.24
IUPAC Name[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](OCC1CC[C@@]2(CO)CCCN12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2Si/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-19-21-15-17-25(20-27)16-10-18-26(21)25/h4-9,11-14,21,27H,10,15-20H2,1-3H3/t21?,25-/m1/s1
InChIKeyRFMAKPJNBOXLLL-UIDYPRJRSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 53.55
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

methyl (3S,8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 167381104
tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 177426805
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
tert-butyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-2-hydroxypyrrolidine-1-carboxylate
CID 142989267
tert-butyl-[[(2S)-1-(4-methylphenyl)pyrrolidin-2-yl]methoxy]-diphenylsilane
CID 140928344
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
tert-butyl 3-[2-[[(3S,8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 176906298
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806

Frequently Asked Questions

What is the IUPAC name of [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 167381124) is [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC(C)(C)[Si](OCC1CC[C@@]2(CO)CCCN12)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is RFMAKPJNBOXLLL-UIDYPRJRSA-N. The full InChI is InChI=1S/C25H35NO2Si/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-19-21-15-17-25(20-27)16-10-18-26(21)25/h4-9,11-14,21,27H,10,15-20H2,1-3H3/t21?,25-/m1/s1.
What are the key properties of [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 409.65 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 167381124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).