tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride

C21H30ClNO2Si — CID 131732785

IUPACtert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
SMILESCC(C)(C)[Si](OC[C@@H]1COCCN1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO2Si.ClH/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-18-16-23-15-14-22-18;/h4-13,18,22H,14-17H2,1-3H3;1H/t18-;/m0./s1
InChIKeyZCQQXQQLBBRREN-FERBBOLQSA-N
MW392.02 g/mol
LogP2.97
Rot. Bonds5

About tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride

tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride (PubChem CID 131732785) has the molecular formula C21H30ClNO2Si and a molecular weight of 392.02 g/mol. Its IUPAC name is tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride.

Molecular Properties

Compound Nametert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
PubChem CID131732785
Molecular FormulaC21H30ClNO2Si
Molecular Weight392.02 g/mol
Exact Mass391.17
IUPAC Nametert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
SMILESCC(C)(C)[Si](OC[C@@H]1COCCN1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H29NO2Si.ClH/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-18-16-23-15-14-22-18;/h4-13,18,22H,14-17H2,1-3H3;1H/t18-;/m0./s1
InChIKeyZCQQXQQLBBRREN-FERBBOLQSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.02
LogP ≤ 52.97
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 tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride?
The IUPAC name of tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride (CID 131732785) is tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride.
What is the SMILES notation for tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride?
The canonical SMILES for tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride is CC(C)(C)[Si](OC[C@@H]1COCCN1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride?
The InChIKey is ZCQQXQQLBBRREN-FERBBOLQSA-N. The full InChI is InChI=1S/C21H29NO2Si.ClH/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-18-16-23-15-14-22-18;/h4-13,18,22H,14-17H2,1-3H3;1H/t18-;/m0./s1.
What are the key properties of tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride?
tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride has a molecular weight of 392.02 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride is sourced from PubChem (CID 131732785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).