tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate

C29H41NO4Si — CID 165157170

IUPACtert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate
SMILESC/C(=C\[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO4Si/c1-23(20-24-21-30(18-19-32-24)27(31)34-28(2,3)4)22-33-35(29(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,24H,18-19,21-22H2,1-7H3/b23-20+/t24-/m0/s1
InChIKeyNEGRDGHXCXIVNT-HMIWSSEUSA-N
MW495.74 g/mol
LogP5.15
Rot. Bonds6

About tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate (PubChem CID 165157170) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate
PubChem CID165157170
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Nametert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate
SMILESC/C(=C\[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO4Si/c1-23(20-24-21-30(18-19-32-24)27(31)34-28(2,3)4)22-33-35(29(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,24H,18-19,21-22H2,1-7H3/b23-20+/t24-/m0/s1
InChIKeyNEGRDGHXCXIVNT-HMIWSSEUSA-N
XLogP5.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate (CID 165157170) is tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate is C/C(=C\[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate?
The InChIKey is NEGRDGHXCXIVNT-HMIWSSEUSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-23(20-24-21-30(18-19-32-24)27(31)34-28(2,3)4)22-33-35(29(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20,24H,18-19,21-22H2,1-7H3/b23-20+/t24-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate has a molecular weight of 495.74 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(E)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]morpholine-4-carboxylate is sourced from PubChem (CID 165157170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).