(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one

C21H27NO3Si — CID 134972742

IUPAC(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1COC(=O)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-20(23)14-22-17/h4-13,17,22H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyBVLOYCDGAAWAKD-KRWDZBQOSA-N
MW369.54 g/mol
LogP2.08
Rot. Bonds5

About (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one

(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one (PubChem CID 134972742) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one
PubChem CID134972742
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1COC(=O)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-20(23)14-22-17/h4-13,17,22H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyBVLOYCDGAAWAKD-KRWDZBQOSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyl O-[tert-butyl(diphenyl)silyl]serinate
CID 11210526
(2S,3S)-tert-butyl 3-((tert-butyldiphenylsilyl)oxy)-2-(methylamino)pent-4-enoate
CID 24773749
N-[2-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]ethyl]glycine 1,1-dimethylethyl ester
CID 54084825
N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]propan-2-amine
CID 58007234
(3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyclopropylmorpholin-2-one
CID 59389183
tert-butyl-[[(3R)-morpholin-3-yl]methoxy]-diphenylsilane
CID 66723640
Tert-butyl-(morpholin-3-ylmethoxy)-diphenylsilane
CID 66723641
tert-butyl-[[(3S)-morpholin-3-yl]methoxy]-diphenylsilane
CID 66723664
2-[2-[Tert-butyl(diphenyl)silyl]oxyethylamino]acetic acid
CID 67674585
(S)-Methyl 2-amino-3-((tert-butyldiphenylsilyl)oxy)propanoate
CID 68565441
Tert-butyl 2-[3-[diethoxy(phenyl)silyl]propylamino]acetate
CID 85712954
(S)-3-((tert-butyldiphenylsilyloxy)methyl)morpholine, hydrochloride salt
CID 131732785

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one (CID 134972742) is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one is CC(C)(C)[Si](OC[C@@H]1COC(=O)CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one?
The InChIKey is BVLOYCDGAAWAKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17-15-24-20(23)14-22-17/h4-13,17,22H,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one?
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one has a molecular weight of 369.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholin-2-one is sourced from PubChem (CID 134972742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).