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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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).