3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid

C12H24O4Si — CID 87967479

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O4Si/c1-7-8-15-10(11(13)14)9-16-17(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyPFJXTFVROOIYQF-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.66
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid (PubChem CID 87967479) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
PubChem CID87967479
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O4Si/c1-7-8-15-10(11(13)14)9-16-17(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyPFJXTFVROOIYQF-UHFFFAOYSA-N
XLogP2.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid (CID 87967479) is 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid is C=CCOC(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The InChIKey is PFJXTFVROOIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-8-15-10(11(13)14)9-16-17(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid has a molecular weight of 260.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid is sourced from PubChem (CID 87967479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).