methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate

C17H25NO5Si — CID 11739619

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H25NO5Si/c1-12(16(19)22-5)15(23-24(6,7)17(2,3)4)13-8-10-14(11-9-13)18(20)21/h8-11,15H,1H2,2-7H3
InChIKeyWKKZJSGFBDNUOU-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.39
Rot. Bonds6

About methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate

methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate (PubChem CID 11739619) has the molecular formula C17H25NO5Si and a molecular weight of 351.48 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
PubChem CID11739619
Molecular FormulaC17H25NO5Si
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H25NO5Si/c1-12(16(19)22-5)15(23-24(6,7)17(2,3)4)13-8-10-14(11-9-13)18(20)21/h8-11,15H,1H2,2-7H3
InChIKeyWKKZJSGFBDNUOU-UHFFFAOYSA-N
XLogP4.39
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-7-(4-nitrophenyl)-3-oxohept-6-enoate
CID 102173385
(3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-4-(4-nitrophenyl)butan-2-one
CID 24862194
methyl 2-[benzamido-(4-nitrophenyl)methyl]prop-2-enoate
CID 101412888
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
CID 10335827
methyl 2-[(S)-(1,3-dioxoisoindol-2-yl)-(4-nitrophenyl)methyl]prop-2-enoate
CID 132541324
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-(4-nitrophenyl)methyl]prop-2-enoate
CID 11211463
(2S,3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-(4-nitrophenyl)propanamide
CID 102533772
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-nitrophenyl)butan-2-yl]-2,2-dichloroacetamide
CID 160664255
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate (CID 11739619) is methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate?
The InChIKey is WKKZJSGFBDNUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5Si/c1-12(16(19)22-5)15(23-24(6,7)17(2,3)4)13-8-10-14(11-9-13)18(20)21/h8-11,15H,1H2,2-7H3.
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate?
methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate has a molecular weight of 351.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11739619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).