(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol

C13H34O4Si3 — CID 6430530

IUPAC(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol
SMILESC[Si](C)(C)OC[C@@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O4Si3/c1-18(2,3)15-10-12(14)13(17-20(7,8)9)11-16-19(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13+/m1/s1
InChIKeyOJDFVLFGJAOEBA-OLZOCXBDSA-N
MW338.67 g/mol
LogP3.27
Rot. Bonds9

About (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol

(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol (PubChem CID 6430530) has the molecular formula C13H34O4Si3 and a molecular weight of 338.67 g/mol. Its IUPAC name is (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol
PubChem CID6430530
Molecular FormulaC13H34O4Si3
Molecular Weight338.67 g/mol
Exact Mass338.18
IUPAC Name(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol
SMILESC[Si](C)(C)OC[C@@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O4Si3/c1-18(2,3)15-10-12(14)13(17-20(7,8)9)11-16-19(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13+/m1/s1
InChIKeyOJDFVLFGJAOEBA-OLZOCXBDSA-N
XLogP3.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol?
The IUPAC name of (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol (CID 6430530) is (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol?
The canonical SMILES for (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol is C[Si](C)(C)OC[C@@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol?
The InChIKey is OJDFVLFGJAOEBA-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H34O4Si3/c1-18(2,3)15-10-12(14)13(17-20(7,8)9)11-16-19(4,5)6/h12-14H,10-11H2,1-9H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol?
(2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol has a molecular weight of 338.67 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,3,4-tris(trimethylsilyloxy)butan-2-ol is sourced from PubChem (CID 6430530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).