4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one

C16H32O3Si — CID 11208821

IUPAC4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one
SMILESCC[Si](CC)(CC)O[C@]1(C)CCCO[C@@H]1CCC(C)=O
InChIInChI=1S/C16H32O3Si/c1-6-20(7-2,8-3)19-16(5)12-9-13-18-15(16)11-10-14(4)17/h15H,6-13H2,1-5H3/t15-,16-/m1/s1
InChIKeySVTWUFSHTQQLPO-HZPDHXFCSA-N
MW300.51 g/mol
LogP4.32
Rot. Bonds8

About 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one

4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one (PubChem CID 11208821) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one
PubChem CID11208821
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one
SMILESCC[Si](CC)(CC)O[C@]1(C)CCCO[C@@H]1CCC(C)=O
InChIInChI=1S/C16H32O3Si/c1-6-20(7-2,8-3)19-16(5)12-9-13-18-15(16)11-10-14(4)17/h15H,6-13H2,1-5H3/t15-,16-/m1/s1
InChIKeySVTWUFSHTQQLPO-HZPDHXFCSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 134951460
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 135001185
1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 135025581
(3S)-3-[(2S,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-5-methyloxan-2-yl]butanal
CID 160202571
(5S,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
CID 10508783
(5R,7R,8R,9R)-8,9-bis[tri(propan-2-yl)silyloxy]-7-[tri(propan-2-yl)silyloxymethyl]-6-oxaspiro[4.5]decan-4-one
CID 10532616
(5R,7S,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10550502
(5S,7S,8S,9S)-8,9-Bis{[tert-butyl(dimethyl)silyl]oxy}-7-methyl-6-oxaspiro[4.5]decan-1-one
CID 10622471
(5S,8R,9R)-8,9-Bis[(triisopropylsilyl)oxy]-6-oxaspiro[4.5]decan-1-one
CID 10649019
(5S,7S,8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10693854
(5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-one
CID 10741216

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one?
The IUPAC name of 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one (CID 11208821) is 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one.
What is the SMILES notation for 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one?
The canonical SMILES for 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one is CC[Si](CC)(CC)O[C@]1(C)CCCO[C@@H]1CCC(C)=O.
What is the InChIKey of 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one?
The InChIKey is SVTWUFSHTQQLPO-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-6-20(7-2,8-3)19-16(5)12-9-13-18-15(16)11-10-14(4)17/h15H,6-13H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one?
4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one has a molecular weight of 300.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-methyl-3-triethylsilyloxyoxan-2-yl]butan-2-one is sourced from PubChem (CID 11208821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).