2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C27H37NO5Si — CID 56654261

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=C(COC(=O)CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-21(19-31-24(29)18-28-25(30)33-26(2,3)4)20-32-34(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17H,1,18-20H2,2-7H3,(H,28,30)
InChIKeyHJQXMNJQPUBBAN-UHFFFAOYSA-N
MW483.68 g/mol
LogP4.19
Rot. Bonds9

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 56654261) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID56654261
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=C(COC(=O)CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-21(19-31-24(29)18-28-25(30)33-26(2,3)4)20-32-34(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17H,1,18-20H2,2-7H3,(H,28,30)
InChIKeyHJQXMNJQPUBBAN-UHFFFAOYSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 10812418
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
[(E,3R)-1-[dimethyl(phenyl)silyl]hexadec-1-en-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11699391
methyl (2S)-3-[methyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121987
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
CID 134835598
methyl (2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10647436
(S)-2-(Tert-butoxycarbonylamino)-3-(tert-butyldiphenylsilyloxy)propanoic acid
CID 10094951
Methyl N-(tert-butoxycarbonyl)-O-(tert-butyldiphenylsilyl)-L-serinate
CID 10551815
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid methyl ester
CID 10719205
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 11004758
methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(tert-butyldiphenylsilyl)oxy]propanoate
CID 11762248

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 56654261) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C=C(COC(=O)CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is HJQXMNJQPUBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-21(19-31-24(29)18-28-25(30)33-26(2,3)4)20-32-34(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17H,1,18-20H2,2-7H3,(H,28,30).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 483.68 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 56654261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).