(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol

C6H10O3 — CID 122495967

IUPAC(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol
SMILESOC1/C=C\COCOC1
InChIInChI=1S/C6H10O3/c7-6-2-1-3-8-5-9-4-6/h1-2,6-7H,3-5H2/b2-1-
InChIKeySTOJQNJTTOJWFH-UPHRSURJSA-N
MW130.14 g/mol
LogP-0.09
Rot. Bonds

About (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol

(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol (PubChem CID 122495967) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol.

Molecular Properties

Compound Name(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol
PubChem CID122495967
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol
SMILESOC1/C=C\COCOC1
InChIInChI=1S/C6H10O3/c7-6-2-1-3-8-5-9-4-6/h1-2,6-7H,3-5H2/b2-1-
InChIKeySTOJQNJTTOJWFH-UPHRSURJSA-N
XLogP-0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] carbonochloridate
CID 139394075
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] acetate
CID 158066994
5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
CID 123660264
(7S)-3-oxabicyclo[5.1.0]oct-5-ene
CID 118908020
1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
CID 158149113
3-chloro-3,6-dihydro-2H-pyran
CID 20537275
(1S)-cyclopent-2-en-1-ol
CID 11789128
ethane;3-methyl-3,6-dihydro-2H-pyran
CID 176964235
ethane;3-methyl-3,6-dihydro-2H-pyran
CID 145255537
(3R)-2,3-dihydrofuran-3-ol
CID 130685289
3-(iodomethyl)-3,6-dihydro-2H-pyran
CID 138500374
3-ethyl-3,6-dihydro-2H-pyran
CID 13166770

Frequently Asked Questions

What is the IUPAC name of (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol?
The IUPAC name of (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol (CID 122495967) is (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol.
What is the SMILES notation for (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol?
The canonical SMILES for (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol is OC1/C=C\COCOC1.
What is the InChIKey of (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol?
The InChIKey is STOJQNJTTOJWFH-UPHRSURJSA-N. The full InChI is InChI=1S/C6H10O3/c7-6-2-1-3-8-5-9-4-6/h1-2,6-7H,3-5H2/b2-1-.
What are the key properties of (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol?
(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol has a molecular weight of 130.14 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol is sourced from PubChem (CID 122495967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).