ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C13H26O3Si — CID 15382070

IUPACethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1
InChIKeyZEJBQMLUFNIAKH-LLVKDONJSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 15382070) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID15382070
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1
InChIKeyZEJBQMLUFNIAKH-LLVKDONJSA-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 (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
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,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxo-7-triethoxysilylhept-6-enoate
CID 101396086
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
CID 10065434
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 15382070) is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=C[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is ZEJBQMLUFNIAKH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-11(10-12(14)15-9-2)16-17(6,7)13(3,4)5/h8,11H,1,9-10H2,2-7H3/t11-/m1/s1.
What are the key properties of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
ethyl (3S)-3-[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 (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 15382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).