2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid

C13H26O3Si — CID 86709668

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid
SMILESC=CC(C)(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-13(6,11(14)15)10(2)16-17(7,8)12(3,4)5/h9-10H,1H2,2-8H3,(H,14,15)
InChIKeyRUQKAJHESGSQJY-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.67
Rot. Bonds5

About 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid

2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid (PubChem CID 86709668) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid
PubChem CID86709668
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid
SMILESC=CC(C)(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-13(6,11(14)15)10(2)16-17(7,8)12(3,4)5/h9-10H,1H2,2-8H3,(H,14,15)
InChIKeyRUQKAJHESGSQJY-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid (CID 86709668) is 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid is C=CC(C)(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid?
The InChIKey is RUQKAJHESGSQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-13(6,11(14)15)10(2)16-17(7,8)12(3,4)5/h9-10H,1H2,2-8H3,(H,14,15).
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid?
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid has a molecular weight of 258.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylbut-3-enoic acid is sourced from PubChem (CID 86709668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).