[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate

C8H12O5 — CID 90182575

IUPAC[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\COCOC1
InChIInChI=1S/C8H12O5/c1-10-8(9)13-7-3-2-4-11-6-12-5-7/h2-3,7H,4-6H2,1H3/b3-2-
InChIKeyUKHPFHRNZQNPCD-IHWYPQMZSA-N
MW188.18 g/mol
LogP0.70
Rot. Bonds1

About [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate

[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate (PubChem CID 90182575) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate
PubChem CID90182575
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\COCOC1
InChIInChI=1S/C8H12O5/c1-10-8(9)13-7-3-2-4-11-6-12-5-7/h2-3,7H,4-6H2,1H3/b3-2-
InChIKeyUKHPFHRNZQNPCD-IHWYPQMZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate?
The IUPAC name of [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate (CID 90182575) is [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate.
What is the SMILES notation for [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate?
The canonical SMILES for [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate is COC(=O)OC1/C=C\COCOC1.
What is the InChIKey of [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate?
The InChIKey is UKHPFHRNZQNPCD-IHWYPQMZSA-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/b3-2-.
What are the key properties of [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate?
[(6E)-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 [(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate is sourced from PubChem (CID 90182575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).