(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid

C10H20O3Si — CID 90058278

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h7-8H,1H2,2-6H3,(H,11,12)/t8-/m0/s1
InChIKeyOIZRDZZFWMMQHS-QMMMGPOBSA-N
MW216.35 g/mol
LogP2.65
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid

(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid (PubChem CID 90058278) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid
PubChem CID90058278
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h7-8H,1H2,2-6H3,(H,11,12)/t8-/m0/s1
InChIKeyOIZRDZZFWMMQHS-QMMMGPOBSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.65
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 (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid (CID 90058278) is (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid is C=C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid?
The InChIKey is OIZRDZZFWMMQHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-7-8(9(11)12)13-14(5,6)10(2,3)4/h7-8H,1H2,2-6H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid has a molecular weight of 216.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid is sourced from PubChem (CID 90058278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).