6,7-dihydro-5H-1,4-dioxonin-3-one

C7H10O3 — CID 67583928

IUPAC6,7-dihydro-5H-1,4-dioxonin-3-one
SMILESO=C1COC=CCCCO1
InChIInChI=1S/C7H10O3/c8-7-6-9-4-2-1-3-5-10-7/h2,4H,1,3,5-6H2
InChIKeyQARDTFWCOBZRPS-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds

About 6,7-dihydro-5H-1,4-dioxonin-3-one

6,7-dihydro-5H-1,4-dioxonin-3-one (PubChem CID 67583928) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-1,4-dioxonin-3-one.

Molecular Properties

Compound Name6,7-dihydro-5H-1,4-dioxonin-3-one
PubChem CID67583928
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name6,7-dihydro-5H-1,4-dioxonin-3-one
SMILESO=C1COC=CCCCO1
InChIInChI=1S/C7H10O3/c8-7-6-9-4-2-1-3-5-10-7/h2,4H,1,3,5-6H2
InChIKeyQARDTFWCOBZRPS-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-1,4-dioxepin-3-one
CID 67378270
2,3,4,7,8,9-hexahydrooxecin-10-one
CID 71335147
(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
CID 10890455
1-oxacycloundec-6-en-2-one
CID 77491444
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-1,4-dioxonin-3-one?
The IUPAC name of 6,7-dihydro-5H-1,4-dioxonin-3-one (CID 67583928) is 6,7-dihydro-5H-1,4-dioxonin-3-one.
What is the SMILES notation for 6,7-dihydro-5H-1,4-dioxonin-3-one?
The canonical SMILES for 6,7-dihydro-5H-1,4-dioxonin-3-one is O=C1COC=CCCCO1.
What is the InChIKey of 6,7-dihydro-5H-1,4-dioxonin-3-one?
The InChIKey is QARDTFWCOBZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7-6-9-4-2-1-3-5-10-7/h2,4H,1,3,5-6H2.
What are the key properties of 6,7-dihydro-5H-1,4-dioxonin-3-one?
6,7-dihydro-5H-1,4-dioxonin-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-1,4-dioxonin-3-one is sourced from PubChem (CID 67583928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).