(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione

C8H10O3 — CID 14691484

IUPAC(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione
SMILESO=C1/C=C\C(=O)OCCCC1
InChIInChI=1S/C8H10O3/c9-7-3-1-2-6-11-8(10)5-4-7/h4-5H,1-3,6H2/b5-4-
InChIKeyUEEAHQYLKAFIES-PLNGDYQASA-N
MW154.17 g/mol
LogP0.84
Rot. Bonds

About (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione

(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione (PubChem CID 14691484) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione.

Molecular Properties

Compound Name(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione
PubChem CID14691484
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione
SMILESO=C1/C=C\C(=O)OCCCC1
InChIInChI=1S/C8H10O3/c9-7-3-1-2-6-11-8(10)5-4-7/h4-5H,1-3,6H2/b5-4-
InChIKeyUEEAHQYLKAFIES-PLNGDYQASA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione?
The IUPAC name of (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione (CID 14691484) is (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione.
What is the SMILES notation for (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione?
The canonical SMILES for (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione is O=C1/C=C\C(=O)OCCCC1.
What is the InChIKey of (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione?
The InChIKey is UEEAHQYLKAFIES-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10O3/c9-7-3-1-2-6-11-8(10)5-4-7/h4-5H,1-3,6H2/b5-4-.
What are the key properties of (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione?
(7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione has a molecular weight of 154.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3,4,5-tetrahydrooxonine-6,9-dione is sourced from PubChem (CID 14691484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).