7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione

C18H26O5 — CID 175197812

IUPAC7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione
SMILESC=CC(CC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(C)=O
InChIInChI=1S/C18H26O5/c1-5-17(11-15(21)9-7-13(3)19)23-18(6-2)12-16(22)10-8-14(4)20/h5-6,17-18H,1-2,7-12H2,3-4H3
InChIKeyQCSIKUDTEBUFLE-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.77
Rot. Bonds14

About 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione

7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione (PubChem CID 175197812) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione.

Molecular Properties

Compound Name7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione
PubChem CID175197812
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione
SMILESC=CC(CC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(C)=O
InChIInChI=1S/C18H26O5/c1-5-17(11-15(21)9-7-13(3)19)23-18(6-2)12-16(22)10-8-14(4)20/h5-6,17-18H,1-2,7-12H2,3-4H3
InChIKeyQCSIKUDTEBUFLE-UHFFFAOYSA-N
XLogP2.77
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione?
The IUPAC name of 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione (CID 175197812) is 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione.
What is the SMILES notation for 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione?
The canonical SMILES for 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione is C=CC(CC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(C)=O.
What is the InChIKey of 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione?
The InChIKey is QCSIKUDTEBUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-5-17(11-15(21)9-7-13(3)19)23-18(6-2)12-16(22)10-8-14(4)20/h5-6,17-18H,1-2,7-12H2,3-4H3.
What are the key properties of 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione?
7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione has a molecular weight of 322.40 g/mol, XLogP of 2.77, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,8-dioxonon-1-en-3-yloxy)non-8-ene-2,5-dione is sourced from PubChem (CID 175197812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).