non-8-ene-2,4-dione

C9H14O2 — CID 11309626

IUPACnon-8-ene-2,4-dione
SMILESC=CCCCC(=O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3H,1,4-7H2,2H3
InChIKeyVLUPHLVECZVUPY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.89
Rot. Bonds6

About non-8-ene-2,4-dione

non-8-ene-2,4-dione (PubChem CID 11309626) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is non-8-ene-2,4-dione.

Molecular Properties

Compound Namenon-8-ene-2,4-dione
PubChem CID11309626
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namenon-8-ene-2,4-dione
SMILESC=CCCCC(=O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3H,1,4-7H2,2H3
InChIKeyVLUPHLVECZVUPY-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of non-8-ene-2,4-dione?
The IUPAC name of non-8-ene-2,4-dione (CID 11309626) is non-8-ene-2,4-dione.
What is the SMILES notation for non-8-ene-2,4-dione?
The canonical SMILES for non-8-ene-2,4-dione is C=CCCCC(=O)CC(C)=O.
What is the InChIKey of non-8-ene-2,4-dione?
The InChIKey is VLUPHLVECZVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3H,1,4-7H2,2H3.
What are the key properties of non-8-ene-2,4-dione?
non-8-ene-2,4-dione has a molecular weight of 154.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-ene-2,4-dione is sourced from PubChem (CID 11309626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).