[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate

C11H14O6 — CID 11637310

IUPAC[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate
SMILESCC(=O)OC1=CCO[C@]2(COC(C)(C)O2)C1=O
InChIInChI=1S/C11H14O6/c1-7(12)16-8-4-5-14-11(9(8)13)6-15-10(2,3)17-11/h4H,5-6H2,1-3H3/t11-/m0/s1
InChIKeyTZLKLINNMMWCHY-NSHDSACASA-N
MW242.23 g/mol
LogP0.51
Rot. Bonds1

About [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate

[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate (PubChem CID 11637310) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate.

Molecular Properties

Compound Name[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate
PubChem CID11637310
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate
SMILESCC(=O)OC1=CCO[C@]2(COC(C)(C)O2)C1=O
InChIInChI=1S/C11H14O6/c1-7(12)16-8-4-5-14-11(9(8)13)6-15-10(2,3)17-11/h4H,5-6H2,1-3H3/t11-/m0/s1
InChIKeyTZLKLINNMMWCHY-NSHDSACASA-N
XLogP0.51
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate?
The IUPAC name of [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate (CID 11637310) is [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate.
What is the SMILES notation for [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate?
The canonical SMILES for [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate is CC(=O)OC1=CCO[C@]2(COC(C)(C)O2)C1=O.
What is the InChIKey of [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate?
The InChIKey is TZLKLINNMMWCHY-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O6/c1-7(12)16-8-4-5-14-11(9(8)13)6-15-10(2,3)17-11/h4H,5-6H2,1-3H3/t11-/m0/s1.
What are the key properties of [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate?
[(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate has a molecular weight of 242.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]dec-7-en-7-yl] acetate is sourced from PubChem (CID 11637310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).