(4Z,6Z,8Z)-1,3-dioxonine

C7H8O2 — CID 139242705

IUPAC(4Z,6Z,8Z)-1,3-dioxonine
SMILESC1=C\C=C/OCO\C=C/1
InChIInChI=1S/C7H8O2/c1-2-4-6-9-7-8-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-
InChIKeyOKECGOBVPQUBQP-XCADPSHZSA-N
MW124.14 g/mol
LogP1.57
Rot. Bonds

About (4Z,6Z,8Z)-1,3-dioxonine

(4Z,6Z,8Z)-1,3-dioxonine (PubChem CID 139242705) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (4Z,6Z,8Z)-1,3-dioxonine.

Molecular Properties

Compound Name(4Z,6Z,8Z)-1,3-dioxonine
PubChem CID139242705
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(4Z,6Z,8Z)-1,3-dioxonine
SMILESC1=C\C=C/OCO\C=C/1
InChIInChI=1S/C7H8O2/c1-2-4-6-9-7-8-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-
InChIKeyOKECGOBVPQUBQP-XCADPSHZSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z)-1,3-dioxonine?
The IUPAC name of (4Z,6Z,8Z)-1,3-dioxonine (CID 139242705) is (4Z,6Z,8Z)-1,3-dioxonine.
What is the SMILES notation for (4Z,6Z,8Z)-1,3-dioxonine?
The canonical SMILES for (4Z,6Z,8Z)-1,3-dioxonine is C1=C\C=C/OCO\C=C/1.
What is the InChIKey of (4Z,6Z,8Z)-1,3-dioxonine?
The InChIKey is OKECGOBVPQUBQP-XCADPSHZSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-4-6-9-7-8-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-.
What are the key properties of (4Z,6Z,8Z)-1,3-dioxonine?
(4Z,6Z,8Z)-1,3-dioxonine has a molecular weight of 124.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z)-1,3-dioxonine is sourced from PubChem (CID 139242705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).