methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

C27H37NO5Si — CID 42625043

IUPACmethyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C\[C@H](CNC(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-20-21(18-19-24(29)31-7)33-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,21H,20H2,1-7H3,(H,28,30)/b19-18-/t21-/m1/s1
InChIKeyPGTTYCCYDMOFAC-IGCQWYOMSA-N
MW483.68 g/mol
LogP4.19
Rot. Bonds8

About methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (PubChem CID 42625043) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
PubChem CID42625043
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Namemethyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C\[C@H](CNC(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-20-21(18-19-24(29)31-7)33-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,21H,20H2,1-7H3,(H,28,30)/b19-18-/t21-/m1/s1
InChIKeyPGTTYCCYDMOFAC-IGCQWYOMSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The IUPAC name of methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (CID 42625043) is methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is COC(=O)/C=C\[C@H](CNC(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The InChIKey is PGTTYCCYDMOFAC-IGCQWYOMSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-20-21(18-19-24(29)31-7)33-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-19,21H,20H2,1-7H3,(H,28,30)/b19-18-/t21-/m1/s1.
What are the key properties of methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate has a molecular weight of 483.68 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is sourced from PubChem (CID 42625043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).