5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate

C8H12O5 — CID 123660264

IUPAC5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
SMILESCOC(=O)OC1C=CCOCOC1
InChIInChI=1S/C8H12O5/c1-10-8(9)13-7-3-2-4-11-6-12-5-7/h2-3,7H,4-6H2,1H3
InChIKeyUKHPFHRNZQNPCD-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.70
Rot. Bonds1

About 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate

5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate (PubChem CID 123660264) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate.

Molecular Properties

Compound Name5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
PubChem CID123660264
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
SMILESCOC(=O)OC1C=CCOCOC1
InChIInChI=1S/C8H12O5/c1-10-8(9)13-7-3-2-4-11-6-12-5-7/h2-3,7H,4-6H2,1H3
InChIKeyUKHPFHRNZQNPCD-UHFFFAOYSA-N
XLogP0.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate 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] acetate
CID 158066994
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] carbonochloridate
CID 139394075
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256
(6E)-5,8-dihydro-4H-1,3-dioxocin-5-ol
CID 122495967
methyl (1R,5S)-5-methoxycarbonyloxycyclohex-3-ene-1-carboxylate
CID 134872441
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] 2-[4-(acetyloxymethyl)-2-(3-oxobutyl)phenyl]acetate
CID 158616945
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
(3E)-5-methoxycarbonyloxycyclooct-3-ene-1-carboxylic acid
CID 90182967
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118550746
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 121291255

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate?
The IUPAC name of 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate (CID 123660264) is 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate.
What is the SMILES notation for 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate?
The canonical SMILES for 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate is COC(=O)OC1C=CCOCOC1.
What is the InChIKey of 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate?
The InChIKey is UKHPFHRNZQNPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-10-8(9)13-7-3-2-4-11-6-12-5-7/h2-3,7H,4-6H2,1H3.
What are the key properties of 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate?
5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate has a molecular weight of 188.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate is sourced from PubChem (CID 123660264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).