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

C18H24O5 — CID 12679430

IUPACdiethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C2=COC=C1CCCCCC2
InChIInChI=1S/C18H24O5/c1-3-22-17(19)15-13-9-7-5-6-8-10-14(12-21-11-13)16(15)18(20)23-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOWFZRUQIROWOHT-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.56
Rot. Bonds4

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

diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate (PubChem CID 12679430) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate.

Molecular Properties

Compound Namediethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
PubChem CID12679430
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Namediethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C2=COC=C1CCCCCC2
InChIInChI=1S/C18H24O5/c1-3-22-17(19)15-13-9-7-5-6-8-10-14(12-21-11-13)16(15)18(20)23-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOWFZRUQIROWOHT-UHFFFAOYSA-N
XLogP3.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The IUPAC name of diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate (CID 12679430) is diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate.
What is the SMILES notation for diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The canonical SMILES for diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)C2=COC=C1CCCCCC2.
What is the InChIKey of diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
The InChIKey is OWFZRUQIROWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-22-17(19)15-13-9-7-5-6-8-10-14(12-21-11-13)16(15)18(20)23-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate?
diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate is sourced from PubChem (CID 12679430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).