dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate

C16H20O5 — CID 13449911

IUPACdimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=COC=C1CCCCCC2
InChIInChI=1S/C16H20O5/c1-19-15(17)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3
InChIKeyWAHYUZDDLAIVES-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.78
Rot. Bonds2

About dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate

dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate (PubChem CID 13449911) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate.

Molecular Properties

Compound Namedimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
PubChem CID13449911
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namedimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2=COC=C1CCCCCC2
InChIInChI=1S/C16H20O5/c1-19-15(17)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3
InChIKeyWAHYUZDDLAIVES-UHFFFAOYSA-N
XLogP2.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The IUPAC name of dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate (CID 13449911) is dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate.
What is the SMILES notation for dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The canonical SMILES for dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2=COC=C1CCCCCC2.
What is the InChIKey of dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The InChIKey is WAHYUZDDLAIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-19-15(17)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3.
What are the key properties of dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate is sourced from PubChem (CID 13449911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).