ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

C23H30O3Si — CID 11417698

IUPACethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,6H2,1-5H3/b18-17+/t19-/m0/s1
InChIKeyJUMRXYZNFKGQGE-QZZNQRLBSA-N
MW382.58 g/mol
LogP4.07
Rot. Bonds7

About ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (PubChem CID 11417698) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
PubChem CID11417698
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Nameethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,6H2,1-5H3/b18-17+/t19-/m0/s1
InChIKeyJUMRXYZNFKGQGE-QZZNQRLBSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The IUPAC name of ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (CID 11417698) is ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.
What is the SMILES notation for ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The canonical SMILES for ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate is CCOC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The InChIKey is JUMRXYZNFKGQGE-QZZNQRLBSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-6-25-22(24)18-17-19(2)26-27(23(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,6H2,1-5H3/b18-17+/t19-/m0/s1.
What are the key properties of ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate has a molecular weight of 382.58 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 11417698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).