methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate

C11H12O5 — CID 102311066

IUPACmethyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
SMILESCOC(=O)C1=CC2OC1(C)C=C(OC)C2=O
InChIInChI=1S/C11H12O5/c1-11-5-8(14-2)9(12)7(16-11)4-6(11)10(13)15-3/h4-5,7H,1-3H3
InChIKeyMDSRYFQCMPZTGO-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.36
Rot. Bonds2

About methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate

methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate (PubChem CID 102311066) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
PubChem CID102311066
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
SMILESCOC(=O)C1=CC2OC1(C)C=C(OC)C2=O
InChIInChI=1S/C11H12O5/c1-11-5-8(14-2)9(12)7(16-11)4-6(11)10(13)15-3/h4-5,7H,1-3H3
InChIKeyMDSRYFQCMPZTGO-UHFFFAOYSA-N
XLogP0.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate?
The IUPAC name of methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate (CID 102311066) is methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate.
What is the SMILES notation for methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate?
The canonical SMILES for methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate is COC(=O)C1=CC2OC1(C)C=C(OC)C2=O.
What is the InChIKey of methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate?
The InChIKey is MDSRYFQCMPZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-11-5-8(14-2)9(12)7(16-11)4-6(11)10(13)15-3/h4-5,7H,1-3H3.
What are the key properties of methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate?
methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate has a molecular weight of 224.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate is sourced from PubChem (CID 102311066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).