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

C17H34O4Si — CID 23253062

IUPAC(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
SMILESCO[C@H]1C(=O)C[C@@H](C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-16(2,3)14-10-12(18)15(19-7)13(21-14)11-20-22(8,9)17(4,5)6/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m1/s1
InChIKeyWWOMOIDKCNSFHH-ILXRZTDVSA-N
MW330.54 g/mol
LogP3.80
Rot. Bonds4

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

(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one (PubChem CID 23253062) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
PubChem CID23253062
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
SMILESCO[C@H]1C(=O)C[C@@H](C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-16(2,3)14-10-12(18)15(19-7)13(21-14)11-20-22(8,9)17(4,5)6/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m1/s1
InChIKeyWWOMOIDKCNSFHH-ILXRZTDVSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one with MolForge

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Related Compounds

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2r,3r,4s,5s)-2-Acetyl-3-(t-butyldimethylsilyloxy)-4-methoxy-5-methyl-tetrahydropyran
CID 11141191
(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253064
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
2,2-Dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one
CID 172518040
methyl (2R)-2-[(2S,3R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
CID 23253300
methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
CID 23253301
(4aS,6S,8aR)-2,2-ditert-butyl-4a-methyl-6-(2,2,2-trideuterioethyl)-8,8a-dihydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-one
CID 122394120

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The IUPAC name of (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one (CID 23253062) is (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one.
What is the SMILES notation for (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The canonical SMILES for (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one is CO[C@H]1C(=O)C[C@@H](C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The InChIKey is WWOMOIDKCNSFHH-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-16(2,3)14-10-12(18)15(19-7)13(21-14)11-20-22(8,9)17(4,5)6/h13-15H,10-11H2,1-9H3/t13-,14+,15+/m1/s1.
What are the key properties of (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one has a molecular weight of 330.54 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one is sourced from PubChem (CID 23253062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).