2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate

C20H34O5Si — CID 11036351

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
SMILESC=C(COC(=O)/C=C(\C)C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-14(16(3)25-26(10,11)20(7,8)9)12-17(21)23-13-15(2)18(22)24-19(4,5)6/h12H,2-3,13H2,1,4-11H3/b14-12+
InChIKeyOGSYVWXJPXWGSR-WYMLVPIESA-N
MW382.57 g/mol
LogP4.91
Rot. Bonds7

About 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate

2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate (PubChem CID 11036351) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
PubChem CID11036351
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
SMILESC=C(COC(=O)/C=C(\C)C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-14(16(3)25-26(10,11)20(7,8)9)12-17(21)23-13-15(2)18(22)24-19(4,5)6/h12H,2-3,13H2,1,4-11H3/b14-12+
InChIKeyOGSYVWXJPXWGSR-WYMLVPIESA-N
XLogP4.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
ditert-butyl (E)-2-methylbut-2-enedioate
CID 12721570
tert-butyl 2-(bromomethyl)prop-2-enoate
CID 10955115
tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate
CID 23661406
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl cyclohexanecarboxylate
CID 121403038
tert-butyl 2-methylprop-2-enoate;trimethylsilylmethyl prop-2-enoate
CID 86753515
[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
CID 11087474
[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
CID 134956025
tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate
CID 89381483
tert-butyl 2-(trimethylsilylmethyl)prop-2-enoate;2-(trimethylsilylmethyl)prop-2-enoic acid
CID 161226856
tert-butyl 2-methyl-4-methylsulfanylbut-2-enoate
CID 123693427
tert-butyl 2-methylidene-5-oxopentanoate
CID 177437390

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate (CID 11036351) is 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate is C=C(COC(=O)/C=C(\C)C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate?
The InChIKey is OGSYVWXJPXWGSR-WYMLVPIESA-N. The full InChI is InChI=1S/C20H34O5Si/c1-14(16(3)25-26(10,11)20(7,8)9)12-17(21)23-13-15(2)18(22)24-19(4,5)6/h12H,2-3,13H2,1,4-11H3/b14-12+.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate?
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate has a molecular weight of 382.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate is sourced from PubChem (CID 11036351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).