2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol

C28H41NO2Si — CID 10195175

IUPAC2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol
SMILESCC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@H](CCO)N2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41NO2Si/c1-27(2,3)32(25-14-6-4-7-15-25,26-16-8-5-9-17-26)31-22-23-12-10-19-28(23)20-11-13-24(29-28)18-21-30/h4-9,14-17,23-24,29-30H,10-13,18-22H2,1-3H3/t23-,24-,28+/m1/s1
InChIKeyBWDKXGSTNZZAEM-GKAFBRTNSA-N
MW451.73 g/mol
LogP4.63
Rot. Bonds7

About 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol

2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol (PubChem CID 10195175) has the molecular formula C28H41NO2Si and a molecular weight of 451.73 g/mol. Its IUPAC name is 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol
PubChem CID10195175
Molecular FormulaC28H41NO2Si
Molecular Weight451.73 g/mol
Exact Mass451.29
IUPAC Name2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol
SMILESCC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@H](CCO)N2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H41NO2Si/c1-27(2,3)32(25-14-6-4-7-15-25,26-16-8-5-9-17-26)31-22-23-12-10-19-28(23)20-11-13-24(29-28)18-21-30/h4-9,14-17,23-24,29-30H,10-13,18-22H2,1-3H3/t23-,24-,28+/m1/s1
InChIKeyBWDKXGSTNZZAEM-GKAFBRTNSA-N
XLogP4.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.73
LogP ≤ 54.63
H-Bond Donors ≤ 52
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 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol?
The IUPAC name of 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol (CID 10195175) is 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol.
What is the SMILES notation for 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol?
The canonical SMILES for 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol is CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@H](CCO)N2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol?
The InChIKey is BWDKXGSTNZZAEM-GKAFBRTNSA-N. The full InChI is InChI=1S/C28H41NO2Si/c1-27(2,3)32(25-14-6-4-7-15-25,26-16-8-5-9-17-26)31-22-23-12-10-19-28(23)20-11-13-24(29-28)18-21-30/h4-9,14-17,23-24,29-30H,10-13,18-22H2,1-3H3/t23-,24-,28+/m1/s1.
What are the key properties of 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol?
2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol has a molecular weight of 451.73 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S,7R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-yl]ethanol is sourced from PubChem (CID 10195175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).