2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane

C29H56N2O4Si2 — CID 158817664

IUPAC2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane
SMILESCC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1.CC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C18H31NO2Si.C11H25NO2Si/c1-17(2,3)22-21-18(4,5)16-14-20-12-11-19(16)13-15-9-7-6-8-10-15;1-10(2,3)15-14-11(4,5)9-8-13-7-6-12-9/h6-10,16H,11-14,22H2,1-5H3;9,12H,6-8,15H2,1-5H3/t16-;9-/m00/s1
InChIKeyIVLVWJGHGPPTIS-GIYVLMGKSA-N
MW552.95 g/mol
LogP4.06
Rot. Bonds8

About 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane

2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane (PubChem CID 158817664) has the molecular formula C29H56N2O4Si2 and a molecular weight of 552.95 g/mol. Its IUPAC name is 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane.

Molecular Properties

Compound Name2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane
PubChem CID158817664
Molecular FormulaC29H56N2O4Si2
Molecular Weight552.95 g/mol
Exact Mass552.38
IUPAC Name2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane
SMILESCC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1.CC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C18H31NO2Si.C11H25NO2Si/c1-17(2,3)22-21-18(4,5)16-14-20-12-11-19(16)13-15-9-7-6-8-10-15;1-10(2,3)15-14-11(4,5)9-8-13-7-6-12-9/h6-10,16H,11-14,22H2,1-5H3;9,12H,6-8,15H2,1-5H3/t16-;9-/m00/s1
InChIKeyIVLVWJGHGPPTIS-GIYVLMGKSA-N
XLogP4.06
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane with MolForge

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Related Compounds

(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
CID 16742169
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
3-tert-butylmorpholine;methanamine
CID 144581691
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
2-(4-benzylpiperazin-2-yl)propan-2-ol
CID 15087796
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane?
The IUPAC name of 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane (CID 158817664) is 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane.
What is the SMILES notation for 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane?
The canonical SMILES for 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane is CC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1.CC(C)(C)[SiH2]OC(C)(C)[C@@H]1COCCN1Cc1ccccc1.
What is the InChIKey of 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane?
The InChIKey is IVLVWJGHGPPTIS-GIYVLMGKSA-N. The full InChI is InChI=1S/C18H31NO2Si.C11H25NO2Si/c1-17(2,3)22-21-18(4,5)16-14-20-12-11-19(16)13-15-9-7-6-8-10-15;1-10(2,3)15-14-11(4,5)9-8-13-7-6-12-9/h6-10,16H,11-14,22H2,1-5H3;9,12H,6-8,15H2,1-5H3/t16-;9-/m00/s1.
What are the key properties of 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane?
2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane has a molecular weight of 552.95 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-benzylmorpholin-3-yl]propan-2-yloxy-tert-butylsilane;tert-butyl-[2-[(3S)-morpholin-3-yl]propan-2-yloxy]silane is sourced from PubChem (CID 158817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).