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

C15H30O3Si — CID 11781148

IUPAC4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one
SMILESCC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(16)9-10-13-14(8-7-11-17-13)18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14+/m1/s1
InChIKeyKJSLULDDNIZKNT-KGLIPLIRSA-N
MW286.49 g/mol
LogP3.92
Rot. Bonds5

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

4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one (PubChem CID 11781148) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one
PubChem CID11781148
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one
SMILESCC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(16)9-10-13-14(8-7-11-17-13)18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14+/m1/s1
InChIKeyKJSLULDDNIZKNT-KGLIPLIRSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.92
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

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
CID 23248665
1-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-2,3-dione
CID 10864188
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
CID 135044553
6-(1-(tert-butyldimethylsilyloxy)propyl)dihydro-2H-pyran-3(4H)-one
CID 58063709
1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
CID 171475509
methyl 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoate
CID 10566311
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one
CID 10857727
4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one
CID 11208821
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propan-2-one
CID 11737367
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one
CID 15668464
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R)-3-methyloxiran-2-yl]hexan-2-one
CID 49766284

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one?
The IUPAC name of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one (CID 11781148) is 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one.
What is the SMILES notation for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one?
The canonical SMILES for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one is CC(=O)CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one?
The InChIKey is KJSLULDDNIZKNT-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(16)9-10-13-14(8-7-11-17-13)18-19(5,6)15(2,3)4/h13-14H,7-11H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one?
4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one has a molecular weight of 286.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butan-2-one is sourced from PubChem (CID 11781148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).