(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one

C13H26O3Si — CID 135055204

IUPAC(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one
SMILESC[C@H]1C(=O)CCO[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10-11(14)7-8-15-12(10)9-16-17(5,6)13(2,3)4/h10,12H,7-9H2,1-6H3/t10-,12-/m0/s1
InChIKeyGTEDPONACFXGIT-JQWIXIFHSA-N
MW258.43 g/mol
LogP3.00
Rot. Bonds3

About (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one

(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one (PubChem CID 135055204) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one.

Molecular Properties

Compound Name(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one
PubChem CID135055204
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one
SMILESC[C@H]1C(=O)CCO[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10-11(14)7-8-15-12(10)9-16-17(5,6)13(2,3)4/h10,12H,7-9H2,1-6H3/t10-,12-/m0/s1
InChIKeyGTEDPONACFXGIT-JQWIXIFHSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-one
CID 10220790
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
CID 10221138
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 134831361
(2S,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
CID 135075552
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 15836736
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
CID 54054129
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
CID 90005565
(5R)-2-[[tert-butyl(methyl)silyl]oxymethyl]-5-methyloxan-3-one
CID 164094702
(2R,5R)-2-[[tert-butyl(methyl)silyl]oxymethyl]-5-methyloxan-3-one
CID 173745399
(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
CID 173909494

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one?
The IUPAC name of (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one (CID 135055204) is (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one.
What is the SMILES notation for (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one?
The canonical SMILES for (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one is C[C@H]1C(=O)CCO[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one?
The InChIKey is GTEDPONACFXGIT-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-11(14)7-8-15-12(10)9-16-17(5,6)13(2,3)4/h10,12H,7-9H2,1-6H3/t10-,12-/m0/s1.
What are the key properties of (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one?
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one has a molecular weight of 258.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one is sourced from PubChem (CID 135055204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).