(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one

C14H26O4Si — CID 11098142

IUPAC(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC[C@]2(CO2)C(=O)[C@@H]1OC
InChIInChI=1S/C14H26O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-12H,5-10H2,1-4H3/t11-,12-,14+/m1/s1
InChIKeyWGTOYPVTOGUAPJ-BZPMIXESSA-N
MW286.44 g/mol
LogP2.52
Rot. Bonds6

About (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one

(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one (PubChem CID 11098142) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one.

Molecular Properties

Compound Name(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one
PubChem CID11098142
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1CC[C@]2(CO2)C(=O)[C@@H]1OC
InChIInChI=1S/C14H26O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-12H,5-10H2,1-4H3/t11-,12-,14+/m1/s1
InChIKeyWGTOYPVTOGUAPJ-BZPMIXESSA-N
XLogP2.52
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-one
CID 16126374
2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde
CID 146166842
(1S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 9899835
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 11119235
(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
CID 11197754
(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione
CID 11278465
(1R,3R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 11334354
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-one
CID 11380687
(1R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[4.1.0]heptan-2-one
CID 11485999
(1S,4R,5R,6R)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
CID 12164293
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
(1S,5R,6R)-3-(hydroxymethyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 101175781

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one?
The IUPAC name of (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one (CID 11098142) is (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one.
What is the SMILES notation for (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one?
The canonical SMILES for (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one is CC[Si](CC)(CC)O[C@@H]1CC[C@]2(CO2)C(=O)[C@@H]1OC.
What is the InChIKey of (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one?
The InChIKey is WGTOYPVTOGUAPJ-BZPMIXESSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-12H,5-10H2,1-4H3/t11-,12-,14+/m1/s1.
What are the key properties of (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one?
(3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one has a molecular weight of 286.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-one is sourced from PubChem (CID 11098142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).