methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

C22H28O3Si — CID 11726542

IUPACmethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-11,13-17H,12,18H2,1-4H3/b17-11+
InChIKeyUIPWZYXPPROZCO-GZTJUZNOSA-N
MW368.55 g/mol
LogP3.68
Rot. Bonds7

About methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (PubChem CID 11726542) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
PubChem CID11726542
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Namemethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-11,13-17H,12,18H2,1-4H3/b17-11+
InChIKeyUIPWZYXPPROZCO-GZTJUZNOSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.68
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 methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (CID 11726542) is methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate is COC(=O)/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The InChIKey is UIPWZYXPPROZCO-GZTJUZNOSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-11,13-17H,12,18H2,1-4H3/b17-11+.
What are the key properties of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate has a molecular weight of 368.55 g/mol, XLogP of 3.68, 7 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(diphenyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 11726542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).