2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate

C19H37O4Si- — CID 134969677

IUPAC2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)C1CC(=O)C(C)C(C)([O-])O1
InChIInChI=1S/C19H37O4Si/c1-9-24(10-2,11-3)23-18(13(4)5)14(6)17-12-16(20)15(7)19(8,21)22-17/h13-15,17-18H,9-12H2,1-8H3/q-1/t14-,15?,17?,18+,19?/m0/s1
InChIKeyYBNUBFLXZFXTMT-ZEBODPKUSA-N
MW357.59 g/mol
LogP3.74
Rot. Bonds8

About 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate

2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate (PubChem CID 134969677) has the molecular formula C19H37O4Si- and a molecular weight of 357.59 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate.

Molecular Properties

Compound Name2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate
PubChem CID134969677
Molecular FormulaC19H37O4Si-
Molecular Weight357.59 g/mol
Exact Mass357.25
IUPAC Name2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)C1CC(=O)C(C)C(C)([O-])O1
InChIInChI=1S/C19H37O4Si/c1-9-24(10-2,11-3)23-18(13(4)5)14(6)17-12-16(20)15(7)19(8,21)22-17/h13-15,17-18H,9-12H2,1-8H3/q-1/t14-,15?,17?,18+,19?/m0/s1
InChIKeyYBNUBFLXZFXTMT-ZEBODPKUSA-N
XLogP3.74
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
1-[(4R,5S,6R)-2,2-ditert-butyl-5-methyl-6-propan-2-yl-1,3,2-dioxasilinan-4-yl]butan-2-one
CID 10947879
methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
(3S,4S)-3-hexyl-4-[(2S)-2-tri(propan-2-yl)silyloxyheptyl]oxetan-2-one
CID 11844300
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
methyl (2R,3S,4S,5S)-7-acetyloxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600665
2-[(2S,3S,4S,5R)-3,5-dimethyl-6-oxo-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 42600667
1-[(2R,4S,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]propan-2-one
CID 102522910
(3Rs,4rs)-4-{(2s)-2-[t-butyl(dimethyl)silyl-oxy]heptyl}-3-hexyloxetan-2-one
CID 129750815
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate?
The IUPAC name of 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate (CID 134969677) is 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate.
What is the SMILES notation for 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate?
The canonical SMILES for 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate is CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)C1CC(=O)C(C)C(C)([O-])O1.
What is the InChIKey of 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate?
The InChIKey is YBNUBFLXZFXTMT-ZEBODPKUSA-N. The full InChI is InChI=1S/C19H37O4Si/c1-9-24(10-2,11-3)23-18(13(4)5)14(6)17-12-16(20)15(7)19(8,21)22-17/h13-15,17-18H,9-12H2,1-8H3/q-1/t14-,15?,17?,18+,19?/m0/s1.
What are the key properties of 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate?
2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate has a molecular weight of 357.59 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate is sourced from PubChem (CID 134969677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).