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

C12H24O3Si — CID 86709657

IUPAC(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
SMILESC=C[C@@H](C(=O)O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyUFGLCJJSLNFHGF-NXEZZACHSA-N
MW244.41 g/mol
LogP3.28
Rot. Bonds5

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

(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid (PubChem CID 86709657) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
PubChem CID86709657
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
SMILESC=C[C@@H](C(=O)O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyUFGLCJJSLNFHGF-NXEZZACHSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.28
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 (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid (CID 86709657) is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid.
What is the SMILES notation for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The canonical SMILES for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid is C=C[C@@H](C(=O)O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The InChIKey is UFGLCJJSLNFHGF-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid is sourced from PubChem (CID 86709657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).