2-[tert-butyl(diphenyl)silyl]oxyacetic acid

C18H22O3Si — CID 11141564

IUPAC2-[tert-butyl(diphenyl)silyl]oxyacetic acid
SMILESCC(C)(C)[Si](OCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3Si/c1-18(2,3)22(21-14-17(19)20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,19,20)
InChIKeyAHVZUDBOTZUEOO-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.65
Rot. Bonds5

About 2-[tert-butyl(diphenyl)silyl]oxyacetic acid

2-[tert-butyl(diphenyl)silyl]oxyacetic acid (PubChem CID 11141564) has the molecular formula C18H22O3Si and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyacetic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyacetic acid
PubChem CID11141564
Molecular FormulaC18H22O3Si
Molecular Weight314.46 g/mol
Exact Mass314.13
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyacetic acid
SMILESCC(C)(C)[Si](OCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3Si/c1-18(2,3)22(21-14-17(19)20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,19,20)
InChIKeyAHVZUDBOTZUEOO-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethanone
CID 90097927
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyacetic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyacetic acid (CID 11141564) is 2-[tert-butyl(diphenyl)silyl]oxyacetic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyacetic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyacetic acid is CC(C)(C)[Si](OCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyacetic acid?
The InChIKey is AHVZUDBOTZUEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3Si/c1-18(2,3)22(21-14-17(19)20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,19,20).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyacetic acid?
2-[tert-butyl(diphenyl)silyl]oxyacetic acid has a molecular weight of 314.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxyacetic acid is sourced from PubChem (CID 11141564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).