methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate

C11H14O7 — CID 71620391

IUPACmethyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
SMILESCOC(=O)C1CC(C)(O)OC12OC(=O)C=C2OC
InChIInChI=1S/C11H14O7/c1-10(14)5-6(9(13)16-3)11(18-10)7(15-2)4-8(12)17-11/h4,6,14H,5H2,1-3H3
InChIKeyGMOLQGOMHWTCDJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.31
Rot. Bonds2

About methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate

methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate (PubChem CID 71620391) has the molecular formula C11H14O7 and a molecular weight of 258.23 g/mol. Its IUPAC name is methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
PubChem CID71620391
Molecular FormulaC11H14O7
Molecular Weight258.23 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate
SMILESCOC(=O)C1CC(C)(O)OC12OC(=O)C=C2OC
InChIInChI=1S/C11H14O7/c1-10(14)5-6(9(13)16-3)11(18-10)7(15-2)4-8(12)17-11/h4,6,14H,5H2,1-3H3
InChIKeyGMOLQGOMHWTCDJ-UHFFFAOYSA-N
XLogP-0.31
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The IUPAC name of methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate (CID 71620391) is methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The canonical SMILES for methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate is COC(=O)C1CC(C)(O)OC12OC(=O)C=C2OC.
What is the InChIKey of methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
The InChIKey is GMOLQGOMHWTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O7/c1-10(14)5-6(9(13)16-3)11(18-10)7(15-2)4-8(12)17-11/h4,6,14H,5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate?
methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate has a molecular weight of 258.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-9-methoxy-2-methyl-7-oxo-1,6-dioxaspiro[4.4]non-8-ene-4-carboxylate is sourced from PubChem (CID 71620391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).