tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane

C20H35NO2Si — CID 11121645

IUPACtert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@](C)(OCc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C20H35NO2Si/c1-19(2,3)24(5,6)23-16-20(4,18-13-10-14-21-18)22-15-17-11-8-7-9-12-17/h7-9,11-12,18,21H,10,13-16H2,1-6H3/t18-,20-/m0/s1
InChIKeyFWTOFLWDEZRSNX-ICSRJNTNSA-N
MW349.59 g/mol
LogP4.74
Rot. Bonds7

About tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane

tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane (PubChem CID 11121645) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane
PubChem CID11121645
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Nametert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@](C)(OCc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C20H35NO2Si/c1-19(2,3)24(5,6)23-16-20(4,18-13-10-14-21-18)22-15-17-11-8-7-9-12-17/h7-9,11-12,18,21H,10,13-16H2,1-6H3/t18-,20-/m0/s1
InChIKeyFWTOFLWDEZRSNX-ICSRJNTNSA-N
XLogP4.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 54.74
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

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CID 167312513
(2S,4S)-2-methyl-4-[(4-octylphenyl)methoxy]pyrrolidine;hydrochloride
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(2R,4S)-2-(methoxymethyl)-4-[(4-octylphenyl)methoxy]pyrrolidine;hydrochloride
CID 72704523
1-benzyloxy-N-ethyl-hexadecan-2-amine
CID 44322501
CID 72704519
CID 72704519
N-hexyl-1-phenylmethoxyhexadecan-2-amine
CID 44322483
N-ethyl-1-phenylmethoxyheptadecan-2-amine
CID 177638740
N-hexyl-1-phenylmethoxyheptadecan-2-amine
CID 177640693
N-ethyl-1-phenylmethoxyhenicosan-2-amine
CID 177640826
2-((Phenylmethoxy)methyl)pyrrolidine
CID 4715279
(S)-2-(Benzyloxymethyl)pyrrolidine
CID 7141630
(2R,3R,4R)-3,4-dibenzyloxy-2-benzyloxymethylpyrrolidine
CID 22842874

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane (CID 11121645) is tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane is CC(C)(C)[Si](C)(C)OC[C@](C)(OCc1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane?
The InChIKey is FWTOFLWDEZRSNX-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-19(2,3)24(5,6)23-16-20(4,18-13-10-14-21-18)22-15-17-11-8-7-9-12-17/h7-9,11-12,18,21H,10,13-16H2,1-6H3/t18-,20-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane?
tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane has a molecular weight of 349.59 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]propoxy]silane is sourced from PubChem (CID 11121645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).