(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione

C12H14O4 — CID 135022366

IUPAC(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)C(=O)C=C2C
InChIInChI=1S/C12H14O4/c1-7-6-12(8(2)4-9(7)13)10(15-3)5-11(14)16-12/h4-5,7H,6H2,1-3H3/t7-,12+/m0/s1
InChIKeyHPPLHFGJEJQBQK-JVXZTZIISA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds1

About (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione

(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione (PubChem CID 135022366) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione.

Molecular Properties

Compound Name(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione
PubChem CID135022366
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)C(=O)C=C2C
InChIInChI=1S/C12H14O4/c1-7-6-12(8(2)4-9(7)13)10(15-3)5-11(14)16-12/h4-5,7H,6H2,1-3H3/t7-,12+/m0/s1
InChIKeyHPPLHFGJEJQBQK-JVXZTZIISA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione with MolForge

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Launch Full Analysis

Related Compounds

[3-Methoxy-2-(3-methyl-4-oxopent-1-en-2-yl)-5-oxofuran-2-yl] acetate
CID 57218398
[(1Z)-1-[(3aR,7aR)-6,7a-dimethyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 70687089
[(1Z)-1-[(3aS,7aS)-6,7a-dimethyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 102482032
[(1Z)-1-[(3aS,7aR)-7-methoxy-7a-methyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 102482037
[(1R,5R,6R)-6-[(2E,6E)-3,7-dimethyl-8-(4-methyl-5-methylideneoxolan-2-yl)octa-2,6-dienyl]-2-methoxy-3,5-dimethyl-4-oxocyclohex-2-en-1-yl] acetate
CID 118528819
[2-methoxy-3,5-dimethyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate
CID 121399573
[(1R,5R,6R)-6-[(2E,6E)-3,7-dimethyl-8-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]octa-2,6-dienyl]-2-methoxy-3,5-dimethyl-4-oxocyclohex-2-en-1-yl] acetate
CID 134271227
methyl (Z)-3-[(1S,6R)-1,2,6-trimethyl-4-oxocyclohex-2-en-1-yl]oxybut-2-enoate
CID 147417201
4-Acetyl-6-(1,1-diethoxyethyl)-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 13157016
methyl 2-hexyl-6-oxo-4a,5-dihydro-4H-cyclopenta[b]pyran-3-carboxylate
CID 57381521
[(1Z)-1-[(3aR,7aR)-7a-ethyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 72164780
Methyl 2-methyl-3a,4,5,6-tetrahydro-1-benzofuran-3-carboxylate
CID 101763517

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione?
The IUPAC name of (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione (CID 135022366) is (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione.
What is the SMILES notation for (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione?
The canonical SMILES for (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione is COC1=CC(=O)O[C@@]12C[C@H](C)C(=O)C=C2C.
What is the InChIKey of (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione?
The InChIKey is HPPLHFGJEJQBQK-JVXZTZIISA-N. The full InChI is InChI=1S/C12H14O4/c1-7-6-12(8(2)4-9(7)13)10(15-3)5-11(14)16-12/h4-5,7H,6H2,1-3H3/t7-,12+/m0/s1.
What are the key properties of (5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione?
(5R,9S)-4-methoxy-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione has a molecular weight of 222.24 g/mol, XLogP of 1.37, 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-6,9-dimethyl-1-oxaspiro[4.5]deca-3,6-diene-2,8-dione is sourced from PubChem (CID 135022366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).