5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid

C29H36O4Si — CID 153321677

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid
SMILESCOc1cc(C(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)ccc1C
InChIInChI=1S/C29H36O4Si/c1-22-18-19-23(21-27(22)32-5)26(28(30)31)17-12-20-33-34(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,18-19,21,26H,12,17,20H2,1-5H3,(H,30,31)
InChIKeyDELJBMTWMGMELW-UHFFFAOYSA-N
MW476.69 g/mol
LogP5.53
Rot. Bonds10

About 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid

5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid (PubChem CID 153321677) has the molecular formula C29H36O4Si and a molecular weight of 476.69 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid
PubChem CID153321677
Molecular FormulaC29H36O4Si
Molecular Weight476.69 g/mol
Exact Mass476.24
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid
SMILESCOc1cc(C(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)ccc1C
InChIInChI=1S/C29H36O4Si/c1-22-18-19-23(21-27(22)32-5)26(28(30)31)17-12-20-33-34(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,18-19,21,26H,12,17,20H2,1-5H3,(H,30,31)
InChIKeyDELJBMTWMGMELW-UHFFFAOYSA-N
XLogP5.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dimethoxyphenyl)heptanoic acid
CID 19042101
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
4-[tert-butyl(diphenyl)silyl]oxy-2-dimethoxyphosphorylbutanoic acid
CID 71561246
[5-[tert-butyl(diphenyl)silyl]oxy-2-phenylselanylpentyl] methyl carbonate
CID 11800903
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
CID 10907183
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid (CID 153321677) is 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid is COc1cc(C(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)ccc1C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid?
The InChIKey is DELJBMTWMGMELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O4Si/c1-22-18-19-23(21-27(22)32-5)26(28(30)31)17-12-20-33-34(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,18-19,21,26H,12,17,20H2,1-5H3,(H,30,31).
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid?
5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid has a molecular weight of 476.69 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid is sourced from PubChem (CID 153321677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).