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

C12H24O4Si — CID 87967553

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
SMILESC=CCO[C@@H](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)/t10-/m0/s1
InChIKeyPFJXTFVROOIYQF-JTQLQIEISA-N
MW260.41 g/mol
LogP2.66
Rot. Bonds7

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

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid (PubChem CID 87967553) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
PubChem CID87967553
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
SMILESC=CCO[C@@H](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)/t10-/m0/s1
InChIKeyPFJXTFVROOIYQF-JTQLQIEISA-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 (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid (CID 87967553) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid is C=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
The InChIKey is PFJXTFVROOIYQF-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid?
(2S)-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 (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid is sourced from PubChem (CID 87967553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).