2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one

C11H14O5 — CID 10220164

IUPAC2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
SMILESC=C1C(C)C(C)(O)OC12OC(=O)C=C2OC
InChIInChI=1S/C11H14O5/c1-6-7(2)11(16-10(6,3)13)8(14-4)5-9(12)15-11/h5-6,13H,2H2,1,3-4H3
InChIKeyUEYMIBGYKZFDMD-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.70
Rot. Bonds1

About 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one

2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 10220164) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
PubChem CID10220164
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
SMILESC=C1C(C)C(C)(O)OC12OC(=O)C=C2OC
InChIInChI=1S/C11H14O5/c1-6-7(2)11(16-10(6,3)13)8(14-4)5-9(12)15-11/h5-6,13H,2H2,1,3-4H3
InChIKeyUEYMIBGYKZFDMD-UHFFFAOYSA-N
XLogP0.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Papyracillic acid
CID 23730661
Papyracillic acid methyl Acetal
CID 23730436
Papyracillic acid C
CID 139587540
(2R,3S,5R)-2,9-dimethoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 102308004
(2R,3S,4R,5S)-4-(hydroxymethyl)-2,9-dimethoxy-2,3-dimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 23730554
(5R)-2,9-dihydroxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 141865371
(2R,3S,4R,5S)-2-hydroxy-9-methoxy-2,3,4-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 44604724
(2R,3S,4R,5R)-4-(hydroxymethyl)-2,9-dimethoxy-2,3-dimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 71618884
(2R,3S,4R,5R)-2-hydroxy-4-(hydroxymethyl)-9-methoxy-2,3-dimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 71618888
Methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
CID 71620391
2,9-Dimethoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 74111034
4-(Hydroxymethyl)-2,9-dimethoxy-2,3-dimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
CID 74111079

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one (CID 10220164) is 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one is C=C1C(C)C(C)(O)OC12OC(=O)C=C2OC.
What is the InChIKey of 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is UEYMIBGYKZFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-7(2)11(16-10(6,3)13)8(14-4)5-9(12)15-11/h5-6,13H,2H2,1,3-4H3.
What are the key properties of 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one?
2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 226.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 10220164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).