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

C14H29NO2Si — CID 164521802

IUPAC[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN2CCC[C@]2(CO)C1
InChIInChI=1S/C14H29NO2Si/c1-13(2,3)18(4,5)17-12-9-14(11-16)7-6-8-15(14)10-12/h12,16H,6-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyJANIOTOSFVSERJ-GXTWGEPZSA-N
MW271.48 g/mol
LogP2.61
Rot. Bonds3

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

[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 164521802) has the molecular formula C14H29NO2Si and a molecular weight of 271.48 g/mol. Its IUPAC name is [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID164521802
Molecular FormulaC14H29NO2Si
Molecular Weight271.48 g/mol
Exact Mass271.20
IUPAC Name[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN2CCC[C@]2(CO)C1
InChIInChI=1S/C14H29NO2Si/c1-13(2,3)18(4,5)17-12-9-14(11-16)7-6-8-15(14)10-12/h12,16H,6-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyJANIOTOSFVSERJ-GXTWGEPZSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 52.61
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

ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
[(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169255267
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
[(3S,8S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 156598778
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide
CID 176943439
(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 176951630
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221

Frequently Asked Questions

What is the IUPAC name of [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 164521802) is [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CN2CCC[C@]2(CO)C1.
What is the InChIKey of [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is JANIOTOSFVSERJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H29NO2Si/c1-13(2,3)18(4,5)17-12-9-14(11-16)7-6-8-15(14)10-12/h12,16H,6-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 271.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 164521802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).