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

C20H36O4Si2 — CID 15174206

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one
SMILESCOCO[C@H](C(=O)[Si](C)(C)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si2/c1-16(24-26(8,9)20(2,3)4)18(23-15-22-5)19(21)25(6,7)17-13-11-10-12-14-17/h10-14,16,18H,15H2,1-9H3/t16-,18+/m1/s1
InChIKeySPUXVIWNNUDZKM-AEFFLSMTSA-N
MW396.68 g/mol
LogP4.11
Rot. Bonds9

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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one (PubChem CID 15174206) has the molecular formula C20H36O4Si2 and a molecular weight of 396.68 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one
PubChem CID15174206
Molecular FormulaC20H36O4Si2
Molecular Weight396.68 g/mol
Exact Mass396.22
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one
SMILESCOCO[C@H](C(=O)[Si](C)(C)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si2/c1-16(24-26(8,9)20(2,3)4)18(23-15-22-5)19(21)25(6,7)17-13-11-10-12-14-17/h10-14,16,18H,15H2,1-9H3/t16-,18+/m1/s1
InChIKeySPUXVIWNNUDZKM-AEFFLSMTSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 54.11
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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Related Compounds

(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
CID 134950604
[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxyhex-2-ynyl] acetate
CID 11168444
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
CID 25128686
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
(E,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]hex-4-enoic acid
CID 15049425
ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)-2,4-dimethylpentanoate
CID 11134524
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one (CID 15174206) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one is COCO[C@H](C(=O)[Si](C)(C)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one?
The InChIKey is SPUXVIWNNUDZKM-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H36O4Si2/c1-16(24-26(8,9)20(2,3)4)18(23-15-22-5)19(21)25(6,7)17-13-11-10-12-14-17/h10-14,16,18H,15H2,1-9H3/t16-,18+/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one has a molecular weight of 396.68 g/mol, XLogP of 4.11, 9 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-1-[dimethyl(phenyl)silyl]-2-(methoxymethoxy)butan-1-one is sourced from PubChem (CID 15174206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).