ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate

C17H26O5Si — CID 11244662

IUPACethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1coc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C17H26O5Si/c1-7-20-16(19)9-8-13-11-21-14(10-15(13)18)12-22-23(5,6)17(2,3)4/h8-11H,7,12H2,1-6H3/b9-8+
InChIKeyOUMLEDVQBZHTCJ-CMDGGOBGSA-N
MW338.48 g/mol
LogP3.74
Rot. Bonds6

About ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate

ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate (PubChem CID 11244662) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
PubChem CID11244662
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Nameethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1coc(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C17H26O5Si/c1-7-20-16(19)9-8-13-11-21-14(10-15(13)18)12-22-23(5,6)17(2,3)4/h8-11H,7,12H2,1-6H3/b9-8+
InChIKeyOUMLEDVQBZHTCJ-CMDGGOBGSA-N
XLogP3.74
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.74
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'}

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Related Compounds

(2R)-2-[(1E,3E,6R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhepta-1,3-dienyl]-2,3-dihydropyran-6-one
CID 102050112
Butyl 3-[3,4,5-trimethoxy-3-methyl-4-[methyl-bis(trimethylsilyloxy)silyl]cyclohexa-1,5-dien-1-yl]prop-2-enoate
CID 68299417
6-[8-[Tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 123484490
3-[Di(cyclohexa-2,4-dien-1-yl)-[3-(2-trimethylsilyloxyethoxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 123549424
6-[(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 141699906
3-[Dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
CID 151098780
3-Trimethoxysilylpropyl 5-methyl-4-oxohexa-2,5-dienoate
CID 156766204
4-O-[[5-[tert-butyl(dimethyl)silyl]oxy-4-oxopyran-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate
CID 172818782
3-[Diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
CID 172846639
Methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate
CID 174504144
ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate
CID 10689241
(5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]furan-2-one
CID 10716520

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate (CID 11244662) is ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate is CCOC(=O)/C=C/c1coc(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate?
The InChIKey is OUMLEDVQBZHTCJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-7-20-16(19)9-8-13-11-21-14(10-15(13)18)12-22-23(5,6)17(2,3)4/h8-11H,7,12H2,1-6H3/b9-8+.
What are the key properties of ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate?
ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate has a molecular weight of 338.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate is sourced from PubChem (CID 11244662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).