tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane

C18H35NOSi — CID 102181386

IUPACtert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC[C@H](C2)[C@H]1N1CCCC1
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-16-13-14-8-9-15(12-14)17(16)19-10-6-7-11-19/h14-17H,6-13H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKeyOHVCGCMRJGKLNX-VVLHAWIVSA-N
MW309.57 g/mol
LogP4.66
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane (PubChem CID 102181386) has the molecular formula C18H35NOSi and a molecular weight of 309.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane
PubChem CID102181386
Molecular FormulaC18H35NOSi
Molecular Weight309.57 g/mol
Exact Mass309.25
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC[C@H](C2)[C@H]1N1CCCC1
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-16-13-14-8-9-15(12-14)17(16)19-10-6-7-11-19/h14-17H,6-13H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKeyOHVCGCMRJGKLNX-VVLHAWIVSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane (CID 102181386) is tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC[C@H](C2)[C@H]1N1CCCC1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane?
The InChIKey is OHVCGCMRJGKLNX-VVLHAWIVSA-N. The full InChI is InChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-16-13-14-8-9-15(12-14)17(16)19-10-6-7-11-19/h14-17H,6-13H2,1-5H3/t14-,15+,16-,17+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane has a molecular weight of 309.57 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane is sourced from PubChem (CID 102181386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).