[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate

C15H16O7 — CID 10902897

IUPAC[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate
SMILESC=C1OC(=O)[C@]2([C@H](C)C=CC(=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C15H16O7/c1-7-5-6-11(18)13(22-10(4)17)15(7)12(21-9(3)16)8(2)20-14(15)19/h5-7,12-13H,2H2,1,3-4H3/t7-,12+,13+,15-/m1/s1
InChIKeySKYFTFZYDCJMPA-FZKHYHNPSA-N
MW308.29 g/mol
LogP0.68
Rot. Bonds2

About [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate

[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate (PubChem CID 10902897) has the molecular formula C15H16O7 and a molecular weight of 308.29 g/mol. Its IUPAC name is [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate.

Molecular Properties

Compound Name[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate
PubChem CID10902897
Molecular FormulaC15H16O7
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate
SMILESC=C1OC(=O)[C@]2([C@H](C)C=CC(=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C15H16O7/c1-7-5-6-11(18)13(22-10(4)17)15(7)12(21-9(3)16)8(2)20-14(15)19/h5-7,12-13H,2H2,1,3-4H3/t7-,12+,13+,15-/m1/s1
InChIKeySKYFTFZYDCJMPA-FZKHYHNPSA-N
XLogP0.68
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate?
The IUPAC name of [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate (CID 10902897) is [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate.
What is the SMILES notation for [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate?
The canonical SMILES for [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate is C=C1OC(=O)[C@]2([C@H](C)C=CC(=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate?
The InChIKey is SKYFTFZYDCJMPA-FZKHYHNPSA-N. The full InChI is InChI=1S/C15H16O7/c1-7-5-6-11(18)13(22-10(4)17)15(7)12(21-9(3)16)8(2)20-14(15)19/h5-7,12-13H,2H2,1,3-4H3/t7-,12+,13+,15-/m1/s1.
What are the key properties of [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate?
[(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate has a molecular weight of 308.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6R,10R)-6-acetyloxy-10-methyl-3-methylidene-1,7-dioxo-2-oxaspiro[4.5]dec-8-en-4-yl] acetate is sourced from PubChem (CID 10902897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).