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

C27H37NO5Si — CID 11059953

IUPACmethyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-21(18-19-24(29)31-7)20-32-34(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
InChIKeyDIDNGOZXJCUDMO-XDSRXIPYSA-N
MW483.68 g/mol
LogP4.19
Rot. Bonds8

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

methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (PubChem CID 11059953) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
PubChem CID11059953
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Namemethyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-21(18-19-24(29)31-7)20-32-34(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
InChIKeyDIDNGOZXJCUDMO-XDSRXIPYSA-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'}

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10906494
tert-butyl N-[(Z)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluorooct-5-en-4-yl]carbamate
CID 178342467
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate
CID 135070430
Methyl N-(tert-butoxycarbonyl)-O-(tert-butyldiphenylsilyl)-L-serinate
CID 10551815
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11177779
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
CID 11258945
methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(tert-butyldiphenylsilyl)oxy]propanoate
CID 11762248

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The IUPAC name of methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (CID 11059953) is methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.
What is the SMILES notation for methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The canonical SMILES for methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is COC(=O)/C=C/[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The InChIKey is DIDNGOZXJCUDMO-XDSRXIPYSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-21(18-19-24(29)31-7)20-32-34(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 (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
methyl (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(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 (E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is sourced from PubChem (CID 11059953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).