(7Z)-5,6-dihydro-4H-trioxocine

C5H8O3 — CID 134158592

IUPAC(7Z)-5,6-dihydro-4H-trioxocine
SMILESC1=C\OOOCCC/1
InChIInChI=1S/C5H8O3/c1-2-4-6-8-7-5-3-1/h2,4H,1,3,5H2/b4-2-
InChIKeyVREIEGDAIUOHKS-RQOWECAXSA-N
MW116.12 g/mol
LogP1.17
Rot. Bonds

About (7Z)-5,6-dihydro-4H-trioxocine

(7Z)-5,6-dihydro-4H-trioxocine (PubChem CID 134158592) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (7Z)-5,6-dihydro-4H-trioxocine.

Molecular Properties

Compound Name(7Z)-5,6-dihydro-4H-trioxocine
PubChem CID134158592
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(7Z)-5,6-dihydro-4H-trioxocine
SMILESC1=C\OOOCCC/1
InChIInChI=1S/C5H8O3/c1-2-4-6-8-7-5-3-1/h2,4H,1,3,5H2/b4-2-
InChIKeyVREIEGDAIUOHKS-RQOWECAXSA-N
XLogP1.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7Z)-5,6-dihydro-4H-trioxocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-5,6-dihydro-4H-trioxocine?
The IUPAC name of (7Z)-5,6-dihydro-4H-trioxocine (CID 134158592) is (7Z)-5,6-dihydro-4H-trioxocine.
What is the SMILES notation for (7Z)-5,6-dihydro-4H-trioxocine?
The canonical SMILES for (7Z)-5,6-dihydro-4H-trioxocine is C1=C\OOOCCC/1.
What is the InChIKey of (7Z)-5,6-dihydro-4H-trioxocine?
The InChIKey is VREIEGDAIUOHKS-RQOWECAXSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-4-6-8-7-5-3-1/h2,4H,1,3,5H2/b4-2-.
What are the key properties of (7Z)-5,6-dihydro-4H-trioxocine?
(7Z)-5,6-dihydro-4H-trioxocine has a molecular weight of 116.12 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5,6-dihydro-4H-trioxocine is sourced from PubChem (CID 134158592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).