[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol

C13H27NO2Si — CID 123368312

IUPAC[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(CO)CC2N1
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(4,5)16-8-10-6-13(9-15)7-11(13)14-10/h10-11,14-15H,6-9H2,1-5H3
InChIKeyWCUNMQHSZLWJTM-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.12
Rot. Bonds4

About [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol (PubChem CID 123368312) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol.

Molecular Properties

Compound Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol
PubChem CID123368312
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(CO)CC2N1
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(4,5)16-8-10-6-13(9-15)7-11(13)14-10/h10-11,14-15H,6-9H2,1-5H3
InChIKeyWCUNMQHSZLWJTM-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.12
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 [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol?
The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol (CID 123368312) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol.
What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol?
The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol is CC(C)(C)[Si](C)(C)OCC1CC2(CO)CC2N1.
What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol?
The InChIKey is WCUNMQHSZLWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-12(2,3)17(4,5)16-8-10-6-13(9-15)7-11(13)14-10/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol?
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol has a molecular weight of 257.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol is sourced from PubChem (CID 123368312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).