ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate

C14H28O3Si — CID 11558121

IUPACethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-8-12(10-13(15)16-9-2)11-17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3
InChIKeyMTKRJCIJGCIEIH-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.76
Rot. Bonds7

About ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate

ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate (PubChem CID 11558121) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate.

Molecular Properties

Compound Nameethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
PubChem CID11558121
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-8-12(10-13(15)16-9-2)11-17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3
InChIKeyMTKRJCIJGCIEIH-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
ethyl (E)-3-ethenylhept-5-enoate
CID 121217082
(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one
CID 89345062
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
CID 90948310
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The IUPAC name of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate (CID 11558121) is ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate.
What is the SMILES notation for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The canonical SMILES for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate is C=CC(CO[Si](C)(C)C(C)(C)C)CC(=O)OCC.
What is the InChIKey of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
The InChIKey is MTKRJCIJGCIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-12(10-13(15)16-9-2)11-17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3.
What are the key properties of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate?
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate is sourced from PubChem (CID 11558121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).