methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate

C15H30O3Si — CID 139263493

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
SMILESCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-9-13(14(16)17-6)11-10-12(2)18-19(7,8)15(3,4)5/h10-13H,9H2,1-8H3/b11-10+
InChIKeyKASSMUHXVNFAFT-ZHACJKMWSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds6

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate (PubChem CID 139263493) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
PubChem CID139263493
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
SMILESCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-9-13(14(16)17-6)11-10-12(2)18-19(7,8)15(3,4)5/h10-13H,9H2,1-8H3/b11-10+
InChIKeyKASSMUHXVNFAFT-ZHACJKMWSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
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

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
methyl 2-ethylpent-3-enoate
CID 154241001
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
dimethyl 2-[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl]propanedioate
CID 11235051
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate (CID 139263493) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate is CCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate?
The InChIKey is KASSMUHXVNFAFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-13(14(16)17-6)11-10-12(2)18-19(7,8)15(3,4)5/h10-13H,9H2,1-8H3/b11-10+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate is sourced from PubChem (CID 139263493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).