2,8-dihydrooxocin-5-one

C7H8O2 — CID 91090210

IUPAC2,8-dihydrooxocin-5-one
SMILESO=C1C=CCOCC=C1
InChIInChI=1S/C7H8O2/c8-7-3-1-5-9-6-2-4-7/h1-4H,5-6H2
InChIKeyKVUCBRAJKJRKGG-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.70
Rot. Bonds

About 2,8-dihydrooxocin-5-one

2,8-dihydrooxocin-5-one (PubChem CID 91090210) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,8-dihydrooxocin-5-one.

Molecular Properties

Compound Name2,8-dihydrooxocin-5-one
PubChem CID91090210
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2,8-dihydrooxocin-5-one
SMILESO=C1C=CCOCC=C1
InChIInChI=1S/C7H8O2/c8-7-3-1-5-9-6-2-4-7/h1-4H,5-6H2
InChIKeyKVUCBRAJKJRKGG-UHFFFAOYSA-N
XLogP0.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dihydrooxocin-5-one?
The IUPAC name of 2,8-dihydrooxocin-5-one (CID 91090210) is 2,8-dihydrooxocin-5-one.
What is the SMILES notation for 2,8-dihydrooxocin-5-one?
The canonical SMILES for 2,8-dihydrooxocin-5-one is O=C1C=CCOCC=C1.
What is the InChIKey of 2,8-dihydrooxocin-5-one?
The InChIKey is KVUCBRAJKJRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-7-3-1-5-9-6-2-4-7/h1-4H,5-6H2.
What are the key properties of 2,8-dihydrooxocin-5-one?
2,8-dihydrooxocin-5-one has a molecular weight of 124.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydrooxocin-5-one is sourced from PubChem (CID 91090210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).