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

C17H34O4Si — CID 23253064

IUPAC(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
SMILESCCC(C)[C@@H]1CC(=O)[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O4Si/c1-9-12(2)14-10-13(18)16(19-6)15(21-14)11-20-22(7,8)17(3,4)5/h12,14-16H,9-11H2,1-8H3/t12?,14-,15+,16-/m0/s1
InChIKeyZHDXMLMTAHSQQY-WDVRLDOZSA-N
MW330.54 g/mol
LogP3.80
Rot. Bonds6

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

(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one (PubChem CID 23253064) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
PubChem CID23253064
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
SMILESCCC(C)[C@@H]1CC(=O)[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H34O4Si/c1-9-12(2)14-10-13(18)16(19-6)15(21-14)11-20-22(7,8)17(3,4)5/h12,14-16H,9-11H2,1-8H3/t12?,14-,15+,16-/m0/s1
InChIKeyZHDXMLMTAHSQQY-WDVRLDOZSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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'}

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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-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253062
1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 134951460
(2R,4aR,6R,7S,8aS)-2-[[(2S,3R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]methyl]-6,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-b]pyran-3-one
CID 134955103
1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 135025581
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
CID 54574796
1-[(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
CID 54574797
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
CID 57133642
(3S)-3-[(4aR,6R,7S,8aR)-2,2-ditert-butyl-7-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]butan-2-one
CID 161968206
(5R,7S,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10550502

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The IUPAC name of (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one (CID 23253064) is (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one.
What is the SMILES notation for (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The canonical SMILES for (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one is CCC(C)[C@@H]1CC(=O)[C@H](OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
The InChIKey is ZHDXMLMTAHSQQY-WDVRLDOZSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-12(2)14-10-13(18)16(19-6)15(21-14)11-20-22(7,8)17(3,4)5/h12,14-16H,9-11H2,1-8H3/t12?,14-,15+,16-/m0/s1.
What are the key properties of (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one?
(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one has a molecular weight of 330.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one is sourced from PubChem (CID 23253064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).