ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C13H26O3Si — CID 171790674

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C13H26O3Si/c1-8-10-11(12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3
InChIKeyUVEMGAJXKWVFIR-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 171790674) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID171790674
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C13H26O3Si/c1-8-10-11(12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3
InChIKeyUVEMGAJXKWVFIR-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
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

Ethyl 2-methyl-2-(triethylsiloxy)-4-pentenoate
CID 129741661
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 135086453
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
(R)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714802
(S)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714996
3-[tert-butyl(dimethyl)silyl]oxy-3H-furan-2-one
CID 129996567
2-[Tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate
CID 139889091
Methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 141130143
2-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 151661034
Methyl 2-trimethylsilyloxybut-3-enoate
CID 156672558
Ethyl 2-[dimethyl(propan-2-yloxy)silyl]pent-4-enoate
CID 10955806
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 171790674) is ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is UVEMGAJXKWVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-10-11(12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 171790674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).