2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine

C22H31NO2Si — CID 59733980

IUPAC2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine
SMILESCC(C)(C)[Si](O[C@H]1CO[C@H](CCN)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-19-16-18(14-15-23)24-17-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19-/m1/s1
InChIKeyGXSVRZNOFKGJIY-RTBURBONSA-N
MW369.58 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine

2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine (PubChem CID 59733980) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine
PubChem CID59733980
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine
SMILESCC(C)(C)[Si](O[C@H]1CO[C@H](CCN)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-19-16-18(14-15-23)24-17-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19-/m1/s1
InChIKeyGXSVRZNOFKGJIY-RTBURBONSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine?
The IUPAC name of 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine (CID 59733980) is 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine?
The canonical SMILES for 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine is CC(C)(C)[Si](O[C@H]1CO[C@H](CCN)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine?
The InChIKey is GXSVRZNOFKGJIY-RTBURBONSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-19-16-18(14-15-23)24-17-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine?
2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine has a molecular weight of 369.58 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine is sourced from PubChem (CID 59733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).