(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one

C14H28O3Si — CID 10221138

IUPAC(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
SMILESC[C@@H]1CC(=O)[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-10-8-12(15)11(2)13(17-10)9-16-18(6,7)14(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11+,13+/m1/s1
InChIKeyJUDIVFKFWRXUJT-MDZLAQPJSA-N
MW272.46 g/mol
LogP3.39
Rot. Bonds3

About (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one

(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one (PubChem CID 10221138) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one.

Molecular Properties

Compound Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
PubChem CID10221138
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
SMILESC[C@@H]1CC(=O)[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-10-8-12(15)11(2)13(17-10)9-16-18(6,7)14(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11+,13+/m1/s1
InChIKeyJUDIVFKFWRXUJT-MDZLAQPJSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.39
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)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-4-one
CID 135055204
(2S,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one
CID 135075552
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
CID 54054129
CID 69484745
CID 69484745
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-one
CID 90005565
2-(tert-Butyl-dimethyl-silanyloxymethyl)-tetrahydro-pyran4-one
CID 131722840
(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,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one?
The IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one (CID 10221138) is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one.
What is the SMILES notation for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one?
The canonical SMILES for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one is C[C@@H]1CC(=O)[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one?
The InChIKey is JUDIVFKFWRXUJT-MDZLAQPJSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-8-12(15)11(2)13(17-10)9-16-18(6,7)14(3,4)5/h10-11,13H,8-9H2,1-7H3/t10-,11+,13+/m1/s1.
What are the key properties of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one?
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one has a molecular weight of 272.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyloxan-4-one is sourced from PubChem (CID 10221138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).