methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate

C12H16O4 — CID 14091970

IUPACmethyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CC(=O)OC12CCCC2
InChIInChI=1S/C12H16O4/c1-8-7-9(13)16-12(5-3-4-6-12)10(8)11(14)15-2/h7,10H,3-6H2,1-2H3
InChIKeyALYADFQPWJYEDF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.59
Rot. Bonds1

About methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate

methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 14091970) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID14091970
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CC(=O)OC12CCCC2
InChIInChI=1S/C12H16O4/c1-8-7-9(13)16-12(5-3-4-6-12)10(8)11(14)15-2/h7,10H,3-6H2,1-2H3
InChIKeyALYADFQPWJYEDF-UHFFFAOYSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate (CID 14091970) is methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate is COC(=O)C1C(C)=CC(=O)OC12CCCC2.
What is the InChIKey of methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is ALYADFQPWJYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-7-9(13)16-12(5-3-4-6-12)10(8)11(14)15-2/h7,10H,3-6H2,1-2H3.
What are the key properties of methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate?
methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 14091970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).