8-methylnon-1-en-4-one

C10H18O — CID 116659508

IUPAC8-methylnon-1-en-4-one
SMILESC=CCC(=O)CCCC(C)C
InChIInChI=1S/C10H18O/c1-4-6-10(11)8-5-7-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyAWBJYYQPKLKBDY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About 8-methylnon-1-en-4-one

8-methylnon-1-en-4-one (PubChem CID 116659508) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 8-methylnon-1-en-4-one.

Molecular Properties

Compound Name8-methylnon-1-en-4-one
PubChem CID116659508
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name8-methylnon-1-en-4-one
SMILESC=CCC(=O)CCCC(C)C
InChIInChI=1S/C10H18O/c1-4-6-10(11)8-5-7-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyAWBJYYQPKLKBDY-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(propan-2-ylamino)hept-1-en-4-one
CID 116558076
dec-9-ene-2,7-dione
CID 12569346
2,16-dimethylheptadecan-6-one
CID 158111781
1-hydroxy-8-methylnonan-4-one
CID 87402189
ethane;7-methyloctan-3-one
CID 142816942
2-methylundecan-6-one
CID 86122551
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
10-aminoundec-1-en-6-one
CID 116610182
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
N',5-dimethylhexanehydrazide
CID 116846298
3-amino-9-methyldecan-5-one
CID 116609077
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614

Frequently Asked Questions

What is the IUPAC name of 8-methylnon-1-en-4-one?
The IUPAC name of 8-methylnon-1-en-4-one (CID 116659508) is 8-methylnon-1-en-4-one.
What is the SMILES notation for 8-methylnon-1-en-4-one?
The canonical SMILES for 8-methylnon-1-en-4-one is C=CCC(=O)CCCC(C)C.
What is the InChIKey of 8-methylnon-1-en-4-one?
The InChIKey is AWBJYYQPKLKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-10(11)8-5-7-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 8-methylnon-1-en-4-one?
8-methylnon-1-en-4-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-1-en-4-one is sourced from PubChem (CID 116659508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).