non-8-en-1-yn-3-one

C9H12O — CID 86129011

IUPACnon-8-en-1-yn-3-one
SMILESC#CC(=O)CCCCC=C
InChIInChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3H,1,5-8H2
InChIKeyFXJCVTWEJZZPBI-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.94
Rot. Bonds5

About non-8-en-1-yn-3-one

non-8-en-1-yn-3-one (PubChem CID 86129011) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is non-8-en-1-yn-3-one.

Molecular Properties

Compound Namenon-8-en-1-yn-3-one
PubChem CID86129011
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namenon-8-en-1-yn-3-one
SMILESC#CC(=O)CCCCC=C
InChIInChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3H,1,5-8H2
InChIKeyFXJCVTWEJZZPBI-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
tricosa-1,22-dien-12-one
CID 86210796
(15Z,19Z)-hexaconta-15,19-dien-1-yn-3-one
CID 132820273
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enamide
CID 166991988
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
CID 164568303
CID 164568303
dodec-11-enethioate
CID 22121594
pentadec-14-enoyl bromide
CID 155164033

Frequently Asked Questions

What is the IUPAC name of non-8-en-1-yn-3-one?
The IUPAC name of non-8-en-1-yn-3-one (CID 86129011) is non-8-en-1-yn-3-one.
What is the SMILES notation for non-8-en-1-yn-3-one?
The canonical SMILES for non-8-en-1-yn-3-one is C#CC(=O)CCCCC=C.
What is the InChIKey of non-8-en-1-yn-3-one?
The InChIKey is FXJCVTWEJZZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3H,1,5-8H2.
What are the key properties of non-8-en-1-yn-3-one?
non-8-en-1-yn-3-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-8-en-1-yn-3-one is sourced from PubChem (CID 86129011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).