(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione

C11H12O4 — CID 135040962

IUPAC(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)C=CC2=O
InChIInChI=1S/C11H12O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h3-5,7H,6H2,1-2H3/t7-,11-/m1/s1
InChIKeyVXCKJXBSSXKJIZ-RDDDGLTNSA-N
MW208.21 g/mol
LogP0.98
Rot. Bonds1

About (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione

(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione (PubChem CID 135040962) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione.

Molecular Properties

Compound Name(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
PubChem CID135040962
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)C=CC2=O
InChIInChI=1S/C11H12O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h3-5,7H,6H2,1-2H3/t7-,11-/m1/s1
InChIKeyVXCKJXBSSXKJIZ-RDDDGLTNSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The IUPAC name of (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione (CID 135040962) is (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione.
What is the SMILES notation for (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The canonical SMILES for (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione is COC1=CC(=O)O[C@@]12C[C@H](C)C=CC2=O.
What is the InChIKey of (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
The InChIKey is VXCKJXBSSXKJIZ-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H12O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h3-5,7H,6H2,1-2H3/t7-,11-/m1/s1.
What are the key properties of (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione?
(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione has a molecular weight of 208.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione is sourced from PubChem (CID 135040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).