ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

C14H28O3Si — CID 10401049

IUPACethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESC/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,10,12H,9,11H2,1-7H3/b10-8+
InChIKeyYDRNNXRTLGKPSR-CSKARUKUSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds6

About ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate

ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (PubChem CID 10401049) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
PubChem CID10401049
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
SMILESC/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,10,12H,9,11H2,1-7H3/b10-8+
InChIKeyYDRNNXRTLGKPSR-CSKARUKUSA-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 (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxo-7-triethoxysilylhept-6-enoate
CID 101396086
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
CID 10937422
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate (CID 10401049) is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate.
What is the SMILES notation for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The canonical SMILES for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is C/C=C/C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
The InChIKey is YDRNNXRTLGKPSR-CSKARUKUSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,10,12H,9,11H2,1-7H3/b10-8+.
What are the key properties of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate?
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-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 (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate is sourced from PubChem (CID 10401049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).