(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid

C30H36O5Si — CID 102263688

IUPAC(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid
SMILESCOc1ccc(COC(C)(/C=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)cc1
InChIInChI=1S/C30H36O5Si/c1-29(2,3)36(26-13-8-6-9-14-26,27-15-10-7-11-16-27)35-22-12-21-30(4,28(31)32)34-23-24-17-19-25(33-5)20-18-24/h6-21H,22-23H2,1-5H3,(H,31,32)/b21-12+
InChIKeyUYWLGNBTTKBODQ-CIAFOILYSA-N
MW504.70 g/mol
LogP5.19
Rot. Bonds11

About (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid

(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid (PubChem CID 102263688) has the molecular formula C30H36O5Si and a molecular weight of 504.70 g/mol. Its IUPAC name is (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid
PubChem CID102263688
Molecular FormulaC30H36O5Si
Molecular Weight504.70 g/mol
Exact Mass504.23
IUPAC Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid
SMILESCOc1ccc(COC(C)(/C=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)cc1
InChIInChI=1S/C30H36O5Si/c1-29(2,3)36(26-13-8-6-9-14-26,27-15-10-7-11-16-27)35-22-12-21-30(4,28(31)32)34-23-24-17-19-25(33-5)20-18-24/h6-21H,22-23H2,1-5H3,(H,31,32)/b21-12+
InChIKeyUYWLGNBTTKBODQ-CIAFOILYSA-N
XLogP5.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.70
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
methyl (E,2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(4-methoxyphenyl)methoxy]-3-methyl-2-[(2R)-2-methyl-4-trimethylsilylbut-3-ynyl]hex-4-enoate
CID 134973938
6-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-5,5-dimethylhexan-3-one
CID 150353604
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(Z,4S,7R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]non-5-en-2-one
CID 71726038
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxymethoxy]-2-methylbutanoate
CID 100990270
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxymethoxy]-2-methylpent-1-en-3-one
CID 11734175
methyl (1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]-2-methylcyclohex-3-ene-1-carboxylate
CID 102211158
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid?
The IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid (CID 102263688) is (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid.
What is the SMILES notation for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid?
The canonical SMILES for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid is COc1ccc(COC(C)(/C=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)cc1.
What is the InChIKey of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid?
The InChIKey is UYWLGNBTTKBODQ-CIAFOILYSA-N. The full InChI is InChI=1S/C30H36O5Si/c1-29(2,3)36(26-13-8-6-9-14-26,27-15-10-7-11-16-27)35-22-12-21-30(4,28(31)32)34-23-24-17-19-25(33-5)20-18-24/h6-21H,22-23H2,1-5H3,(H,31,32)/b21-12+.
What are the key properties of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid?
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid has a molecular weight of 504.70 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-2-methylpent-3-enoic acid is sourced from PubChem (CID 102263688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).