4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid

C18H30O4Si — CID 68630096

IUPAC4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
SMILESCC(CCO[Si](C)(C)C(C)(C)C)OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H30O4Si/c1-14(11-12-22-23(5,6)18(2,3)4)21-13-15-7-9-16(10-8-15)17(19)20/h7-10,14H,11-13H2,1-6H3,(H,19,20)
InChIKeyBUAHJGPAWIKSST-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.70
Rot. Bonds8

About 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid

4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid (PubChem CID 68630096) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
PubChem CID68630096
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Name4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
SMILESCC(CCO[Si](C)(C)C(C)(C)C)OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H30O4Si/c1-14(11-12-22-23(5,6)18(2,3)4)21-13-15-7-9-16(10-8-15)17(19)20/h7-10,14H,11-13H2,1-6H3,(H,19,20)
InChIKeyBUAHJGPAWIKSST-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]benzoic acid
CID 18927891
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]hexan-2-one
CID 25191553
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyl-3-phenylmethoxyheptyl] 2,2-dimethylpropanoate
CID 71513942
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
CID 11204825
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
CID 42644288
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] 2-oxopyran-3-carboxylate
CID 10359036
methyl 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]benzoate
CID 177320836

Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid?
The IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid (CID 68630096) is 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid.
What is the SMILES notation for 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid?
The canonical SMILES for 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid is CC(CCO[Si](C)(C)C(C)(C)C)OCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid?
The InChIKey is BUAHJGPAWIKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-14(11-12-22-23(5,6)18(2,3)4)21-13-15-7-9-16(10-8-15)17(19)20/h7-10,14H,11-13H2,1-6H3,(H,19,20).
What are the key properties of 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid?
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid has a molecular weight of 338.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid is sourced from PubChem (CID 68630096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).