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

C14H28O3Si — CID 135086453

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-9-11-14(6,12(15)16-10-2)17-18(7,8)13(3,4)5/h9H,1,10-11H2,2-8H3
InChIKeyDFDYJMOFOMKIGB-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds6

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

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (PubChem CID 135086453) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
PubChem CID135086453
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
SMILESC=CCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28O3Si/c1-9-11-14(6,12(15)16-10-2)17-18(7,8)13(3,4)5/h9H,1,10-11H2,2-8H3
InChIKeyDFDYJMOFOMKIGB-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
methyl (Z,2R)-2-triethylsilyloxy-5-trimethylstannylpent-4-enoate
CID 44632392
ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate
CID 101220207
ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
CID 125493441
ethyl (E,2S)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
CID 125493442
Methyl (R)-2-[(tert-Butyldimethylsilyl)oxy]-4-pentenoate
CID 177816725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate (CID 135086453) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate is C=CCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
The InChIKey is DFDYJMOFOMKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-11-14(6,12(15)16-10-2)17-18(7,8)13(3,4)5/h9H,1,10-11H2,2-8H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 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]oxy-2-methylpent-4-enoate is sourced from PubChem (CID 135086453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).