2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid

C15H24O3Si — CID 69196947

IUPAC2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1C(=O)O
InChIInChI=1S/C15H24O3Si/c1-11(18-19(5,6)15(2,3)4)12-9-7-8-10-13(12)14(16)17/h7-11H,1-6H3,(H,16,17)/t11-/m0/s1
InChIKeyVJYWAVFOUXWOSV-NSHDSACASA-N
MW280.44 g/mol
LogP4.47
Rot. Bonds4

About 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid

2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid (PubChem CID 69196947) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid.

Molecular Properties

Compound Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
PubChem CID69196947
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1C(=O)O
InChIInChI=1S/C15H24O3Si/c1-11(18-19(5,6)15(2,3)4)12-9-7-8-10-13(12)14(16)17/h7-11H,1-6H3,(H,16,17)/t11-/m0/s1
InChIKeyVJYWAVFOUXWOSV-NSHDSACASA-N
XLogP4.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.47
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-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 67299553
tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
CID 102396896
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
2-(1-tert-butylsulfanylethyl)benzoic acid
CID 175442834
2-[1-(2-bromoacetyl)oxyethyl]benzoic acid
CID 141355868
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate
CID 134886996
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
CID 134950604
2-[hydroxy(methoxy)methyl]benzoic acid
CID 90208008

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid?
The IUPAC name of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid (CID 69196947) is 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid.
What is the SMILES notation for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid?
The canonical SMILES for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid is C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid?
The InChIKey is VJYWAVFOUXWOSV-NSHDSACASA-N. The full InChI is InChI=1S/C15H24O3Si/c1-11(18-19(5,6)15(2,3)4)12-9-7-8-10-13(12)14(16)17/h7-11H,1-6H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid?
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid has a molecular weight of 280.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid is sourced from PubChem (CID 69196947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).