ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate

C24H32O3Si — CID 14842009

IUPACethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-6-26-23(25)18-17-20(2)19-27-28(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20H,6,19H2,1-5H3/b18-17+/t20-/m0/s1
InChIKeyOAYUIHDLPDKOCK-PCYKQNFTSA-N
MW396.60 g/mol
LogP4.32
Rot. Bonds8

About ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate

ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate (PubChem CID 14842009) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate
PubChem CID14842009
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Nameethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-6-26-23(25)18-17-20(2)19-27-28(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20H,6,19H2,1-5H3/b18-17+/t20-/m0/s1
InChIKeyOAYUIHDLPDKOCK-PCYKQNFTSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.32
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)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate?
The IUPAC name of ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate (CID 14842009) is ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate is CCOC(=O)/C=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate?
The InChIKey is OAYUIHDLPDKOCK-PCYKQNFTSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-6-26-23(25)18-17-20(2)19-27-28(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,20H,6,19H2,1-5H3/b18-17+/t20-/m0/s1.
What are the key properties of ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate?
ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate has a molecular weight of 396.60 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoate is sourced from PubChem (CID 14842009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).