non-8-en-4-one

C9H16O — CID 11137251

IUPACnon-8-en-4-one
SMILESC=CCCCC(=O)CCC
InChIInChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3H,1,4-8H2,2H3
InChIKeyFMNAXAISJAGCLV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds6

About non-8-en-4-one

non-8-en-4-one (PubChem CID 11137251) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-8-en-4-one.

Molecular Properties

Compound Namenon-8-en-4-one
PubChem CID11137251
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-8-en-4-one
SMILESC=CCCCC(=O)CCC
InChIInChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3H,1,4-8H2,2H3
InChIKeyFMNAXAISJAGCLV-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentacos-1-en-11-one
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hexadec-15-en-5-one
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pentadec-14-en-7-one
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tricos-1-en-11-one
CID 146680996
tetradec-1-en-5-one
CID 11195184
tricosa-1,22-dien-12-one
CID 86210796
tridecane-4,10-dione
CID 158766358
12-aminododec-1-en-6-one
CID 116551538
10-aminoundec-1-en-6-one
CID 116610182
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
1-(2-methoxyethoxy)oct-7-en-3-one
CID 102927341
methanol;octan-4-one
CID 174820687

Frequently Asked Questions

What is the IUPAC name of non-8-en-4-one?
The IUPAC name of non-8-en-4-one (CID 11137251) is non-8-en-4-one.
What is the SMILES notation for non-8-en-4-one?
The canonical SMILES for non-8-en-4-one is C=CCCCC(=O)CCC.
What is the InChIKey of non-8-en-4-one?
The InChIKey is FMNAXAISJAGCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3H,1,4-8H2,2H3.
What are the key properties of non-8-en-4-one?
non-8-en-4-one has a molecular weight of 140.23 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-en-4-one is sourced from PubChem (CID 11137251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).