(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one

C15H34O4Si2 — CID 135049504

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one
SMILESCOCO[C@H](C(=O)[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-12(19-21(9,10)15(2,3)4)13(18-11-17-5)14(16)20(6,7)8/h12-13H,11H2,1-10H3/t12-,13+/m1/s1
InChIKeyWOMSQKMWMMLGLN-OLZOCXBDSA-N
MW334.61 g/mol
LogP3.83
Rot. Bonds8

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one (PubChem CID 135049504) has the molecular formula C15H34O4Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one
PubChem CID135049504
Molecular FormulaC15H34O4Si2
Molecular Weight334.61 g/mol
Exact Mass334.20
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one
SMILESCOCO[C@H](C(=O)[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-12(19-21(9,10)15(2,3)4)13(18-11-17-5)14(16)20(6,7)8/h12-13H,11H2,1-10H3/t12-,13+/m1/s1
InChIKeyWOMSQKMWMMLGLN-OLZOCXBDSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one (CID 135049504) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one is COCO[C@H](C(=O)[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one?
The InChIKey is WOMSQKMWMMLGLN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H34O4Si2/c1-12(19-21(9,10)15(2,3)4)13(18-11-17-5)14(16)20(6,7)8/h12-13H,11H2,1-10H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one has a molecular weight of 334.61 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 135049504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).