4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid

C16H26O5Si — CID 162506085

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
SMILESCOc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C16H26O5Si/c1-16(2,3)22(5,6)21-10-9-20-12-7-8-13(15(17)18)14(11-12)19-4/h7-8,11H,9-10H2,1-6H3,(H,17,18)
InChIKeyJGBQCBJUOFGAMX-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.79
Rot. Bonds7

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid

4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid (PubChem CID 162506085) has the molecular formula C16H26O5Si and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
PubChem CID162506085
Molecular FormulaC16H26O5Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
SMILESCOc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C16H26O5Si/c1-16(2,3)22(5,6)21-10-9-20-12-7-8-13(15(17)18)14(11-12)19-4/h7-8,11H,9-10H2,1-6H3,(H,17,18)
InChIKeyJGBQCBJUOFGAMX-UHFFFAOYSA-N
XLogP3.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
4-(2-cyanopropan-2-yloxy)-2-methoxybenzoic acid
CID 67465958
2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 86193789
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379364
4-(2-methoxyethoxy)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 68831637
2-methoxy-5-propoxybenzoic acid
CID 82265622
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid (CID 162506085) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid is COc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid?
The InChIKey is JGBQCBJUOFGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5Si/c1-16(2,3)22(5,6)21-10-9-20-12-7-8-13(15(17)18)14(11-12)19-4/h7-8,11H,9-10H2,1-6H3,(H,17,18).
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid?
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid has a molecular weight of 326.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid is sourced from PubChem (CID 162506085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).