(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione

C11H14O4 — CID 135041003

IUPAC(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione
SMILESCOC1=CC(=O)O[C@]12C[C@@H](C)CCC2=O
InChIInChI=1S/C11H14O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h5,7H,3-4,6H2,1-2H3/t7-,11-/m0/s1
InChIKeyMZVZVUDDJLYHJF-CPCISQLKSA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds1

About (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione

(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione (PubChem CID 135041003) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione.

Molecular Properties

Compound Name(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione
PubChem CID135041003
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione
SMILESCOC1=CC(=O)O[C@]12C[C@@H](C)CCC2=O
InChIInChI=1S/C11H14O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h5,7H,3-4,6H2,1-2H3/t7-,11-/m0/s1
InChIKeyMZVZVUDDJLYHJF-CPCISQLKSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione?
The IUPAC name of (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione (CID 135041003) is (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione.
What is the SMILES notation for (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione?
The canonical SMILES for (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione is COC1=CC(=O)O[C@]12C[C@@H](C)CCC2=O.
What is the InChIKey of (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione?
The InChIKey is MZVZVUDDJLYHJF-CPCISQLKSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-3-4-8(12)11(6-7)9(14-2)5-10(13)15-11/h5,7H,3-4,6H2,1-2H3/t7-,11-/m0/s1.
What are the key properties of (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione?
(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione has a molecular weight of 210.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione is sourced from PubChem (CID 135041003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).