non-1-en-8-yn-5-one

C9H12O — CID 10701873

IUPACnon-1-en-8-yn-5-one
SMILESC#CCCC(=O)CCC=C
InChIInChI=1S/C9H12O/c1-3-5-7-9(10)8-6-4-2/h1,4H,2,5-8H2
InChIKeyWRYUENCZUGJJHO-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.94
Rot. Bonds5

About non-1-en-8-yn-5-one

non-1-en-8-yn-5-one (PubChem CID 10701873) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is non-1-en-8-yn-5-one.

Molecular Properties

Compound Namenon-1-en-8-yn-5-one
PubChem CID10701873
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namenon-1-en-8-yn-5-one
SMILESC#CCCC(=O)CCC=C
InChIInChI=1S/C9H12O/c1-3-5-7-9(10)8-6-4-2/h1,4H,2,5-8H2
InChIKeyWRYUENCZUGJJHO-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Nona-1,8-dien-5-one
CID 11083958
Oct-7-en-4-one
CID 11412381
1-Decen-9-yn-5-one
CID 14265374
Non-8-en-1-yn-3-one
CID 86129011
Oct-1-en-7-yn-3-one
CID 24776159
Non-8-en-5-yn-2-one
CID 45085461
Undec-1-en-6-yn-5-one
CID 101538879
1,7-Octadien-4-one
CID 24975628
Acetylene;hepta-1,6-dien-4-one
CID 88120371
Oct-7-en-2-yn-4-one
CID 123545269
Hept-6-en-1-yn-3-one
CID 141427795
Deca-1,9-dien-6-yn-5-one
CID 10855627

Frequently Asked Questions

What is the IUPAC name of non-1-en-8-yn-5-one?
The IUPAC name of non-1-en-8-yn-5-one (CID 10701873) is non-1-en-8-yn-5-one.
What is the SMILES notation for non-1-en-8-yn-5-one?
The canonical SMILES for non-1-en-8-yn-5-one is C#CCCC(=O)CCC=C.
What is the InChIKey of non-1-en-8-yn-5-one?
The InChIKey is WRYUENCZUGJJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-5-7-9(10)8-6-4-2/h1,4H,2,5-8H2.
What are the key properties of non-1-en-8-yn-5-one?
non-1-en-8-yn-5-one has a molecular weight of 136.19 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-8-yn-5-one is sourced from PubChem (CID 10701873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).