(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione

C15H24O5Si — CID 11197754

IUPAC(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
SMILESCC[Si](CC)(CC)O[C@@H]1CC(=O)[C@@H]2O[C@@H]2[C@]12CCC(=O)O2
InChIInChI=1S/C15H24O5Si/c1-4-21(5-2,6-3)20-11-9-10(16)13-14(18-13)15(11)8-7-12(17)19-15/h11,13-14H,4-9H2,1-3H3/t11-,13+,14+,15+/m1/s1
InChIKeyWTQOFHFIVZXPSO-UNQGMJICSA-N
MW312.44 g/mol
LogP2.19
Rot. Bonds5

About (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione

(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione (PubChem CID 11197754) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
PubChem CID11197754
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione
SMILESCC[Si](CC)(CC)O[C@@H]1CC(=O)[C@@H]2O[C@@H]2[C@]12CCC(=O)O2
InChIInChI=1S/C15H24O5Si/c1-4-21(5-2,6-3)20-11-9-10(16)13-14(18-13)15(11)8-7-12(17)19-15/h11,13-14H,4-9H2,1-3H3/t11-,13+,14+,15+/m1/s1
InChIKeyWTQOFHFIVZXPSO-UNQGMJICSA-N
XLogP2.19
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 10541218
(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,2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-1-hydroxy-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 10780839
methyl (1R,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 15720337
methyl (1S,3R,4S,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-7-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 15720344
(1R,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-7-oxabicyclo[4.1.0]heptane-1-carboxylic acid
CID 15720346
(1R,4S,5R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 11165516
(1R,3R,5R)-1-Acetoxy-3-[(tert-butyldimethylsilyl)oxy]-6-oxa-bicyclo[3.2.1]octane-4,7-dione
CID 11558955
[3-[Tert-butyl(dimethyl)silyl]oxy-4,7-dioxo-6-oxabicyclo[3.2.1]octan-1-yl] acetate
CID 67499349
1,4-Di(tert-butyldimethylsilyloxy)cyclohexan-1,5-carbolactone
CID 86660516
(1S, 4S, 5R)-1,4-di(tert-butyldimethylsilyloxy)-3-oxocyclohexan-1,5-carbolactone
CID 86660517

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione?
The IUPAC name of (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione (CID 11197754) is (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione.
What is the SMILES notation for (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione?
The canonical SMILES for (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione is CC[Si](CC)(CC)O[C@@H]1CC(=O)[C@@H]2O[C@@H]2[C@]12CCC(=O)O2.
What is the InChIKey of (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione?
The InChIKey is WTQOFHFIVZXPSO-UNQGMJICSA-N. The full InChI is InChI=1S/C15H24O5Si/c1-4-21(5-2,6-3)20-11-9-10(16)13-14(18-13)15(11)8-7-12(17)19-15/h11,13-14H,4-9H2,1-3H3/t11-,13+,14+,15+/m1/s1.
What are the key properties of (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione?
(1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione has a molecular weight of 312.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6S)-4-triethylsilyloxyspiro[7-oxabicyclo[4.1.0]heptane-5,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 11197754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).