(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one

C13H26O4Si — CID 10945657

IUPAC(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one
SMILESCO[C@H]1O[C@H](C)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-9-10(14)8-11(12(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m1/s1
InChIKeyLXYJYBHTGQAHHI-JLLWLGSASA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds3

About (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one

(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one (PubChem CID 10945657) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one.

Molecular Properties

Compound Name(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one
PubChem CID10945657
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one
SMILESCO[C@H]1O[C@H](C)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-9-10(14)8-11(12(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m1/s1
InChIKeyLXYJYBHTGQAHHI-JLLWLGSASA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-deoxy-2,3-di-O-methyl-alpha-d-xylo-hexopyranosid-4-ulose
CID 13122557
(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyldihydro-2H-pyran-4(3H)-one
CID 91801309
D(+)-Turanose, TMS
CID 22296522
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
CID 11483490
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
Turanose 8tms-2
CID 91750418
TMS(-2)[TMS(-3)][TMS(-4)][TMS(-6)]Hex(?1-3)[TMS(-4)][TMS(-5)][TMS(-6)]keto-Hex2ulo-O-TMS
CID 632327
(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
CID 10706487
D-Fructose, 3-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-alpha-D-glucopyranosyl]-1,4,5,6-tetrakis-O-(trimethylsilyl)-
CID 91743874
(2R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-one
CID 70005413
(2-Methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate
CID 85393620

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one?
The IUPAC name of (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one (CID 10945657) is (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one.
What is the SMILES notation for (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one?
The canonical SMILES for (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one is CO[C@H]1O[C@H](C)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one?
The InChIKey is LXYJYBHTGQAHHI-JLLWLGSASA-N. The full InChI is InChI=1S/C13H26O4Si/c1-9-10(14)8-11(12(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m1/s1.
What are the key properties of (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one?
(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one has a molecular weight of 274.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one is sourced from PubChem (CID 10945657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).