4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione

C10H10O5 — CID 175770284

IUPAC4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione
SMILESCCCC1OC(=O)c2ccc(o2)C(=O)O1
InChIInChI=1S/C10H10O5/c1-2-3-8-14-9(11)6-4-5-7(13-6)10(12)15-8/h4-5,8H,2-3H2,1H3
InChIKeyCIWRLBQIIUXDFO-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.73
Rot. Bonds2

About 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione

4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione (PubChem CID 175770284) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione.

Molecular Properties

Compound Name4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione
PubChem CID175770284
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione
SMILESCCCC1OC(=O)c2ccc(o2)C(=O)O1
InChIInChI=1S/C10H10O5/c1-2-3-8-14-9(11)6-4-5-7(13-6)10(12)15-8/h4-5,8H,2-3H2,1H3
InChIKeyCIWRLBQIIUXDFO-UHFFFAOYSA-N
XLogP1.73
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione?
The IUPAC name of 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione (CID 175770284) is 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione.
What is the SMILES notation for 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione?
The canonical SMILES for 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione is CCCC1OC(=O)c2ccc(o2)C(=O)O1.
What is the InChIKey of 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione?
The InChIKey is CIWRLBQIIUXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-3-8-14-9(11)6-4-5-7(13-6)10(12)15-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione?
4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione has a molecular weight of 210.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3,5,10-trioxabicyclo[5.2.1]deca-1(9),7-diene-2,6-dione is sourced from PubChem (CID 175770284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).