ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

C13H26O3Si — CID 5468981

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCCOC(=O)/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-15-12(14)10-8-9-11-16-17(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyYJTKYXDVMNVKEC-CSKARUKUSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (PubChem CID 5468981) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
PubChem CID5468981
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
SMILESCCOC(=O)/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-15-12(14)10-8-9-11-16-17(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+
InChIKeyYJTKYXDVMNVKEC-CSKARUKUSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate (CID 5468981) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is CCOC(=O)/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
The InChIKey is YJTKYXDVMNVKEC-CSKARUKUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-15-12(14)10-8-9-11-16-17(5,6)13(2,3)4/h8,10H,7,9,11H2,1-6H3/b10-8+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-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 (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 5468981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).