methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate

C22H28O3Si — CID 15527217

IUPACmethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
SMILESCOC(=O)CC/C=C/O[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/h5-10,12-16,18H,11,17H2,1-4H3/b18-12+
InChIKeyYXAKAPPEUMKZGZ-LDADJPATSA-N
MW368.55 g/mol
LogP4.03
Rot. Bonds7

About methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate

methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate (PubChem CID 15527217) 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-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
PubChem CID15527217
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Namemethyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
SMILESCOC(=O)CC/C=C/O[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/h5-10,12-16,18H,11,17H2,1-4H3/b18-12+
InChIKeyYXAKAPPEUMKZGZ-LDADJPATSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
CID 101065949
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
tert-butyl-[(E)-2-fluoroethenoxy]-diphenylsilane
CID 101364803
[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
CID 23194391
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
methyl (5S,6E,8Z)-5-[tert-butyl(diphenyl)silyl]oxy-11-hydroxyundeca-6,8-dienoate
CID 101068041
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl 3-[(1S,2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]propanoate
CID 101235603
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate (CID 15527217) is methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate is COC(=O)CC/C=C/O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate?
The InChIKey is YXAKAPPEUMKZGZ-LDADJPATSA-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/h5-10,12-16,18H,11,17H2,1-4H3/b18-12+.
What are the key properties of methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate?
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate has a molecular weight of 368.55 g/mol, XLogP of 4.03, 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-4-enoate is sourced from PubChem (CID 15527217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).