6-methylnon-4-en-3-one

C10H18O — CID 3022935

IUPAC6-methylnon-4-en-3-one
SMILESCCCC(C)C=CC(=O)CC
InChIInChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h7-9H,4-6H2,1-3H3
InChIKeyJBOKYJTTWHKTAU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 6-methylnon-4-en-3-one

6-methylnon-4-en-3-one (PubChem CID 3022935) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-methylnon-4-en-3-one.

Molecular Properties

Compound Name6-methylnon-4-en-3-one
PubChem CID3022935
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-methylnon-4-en-3-one
SMILESCCCC(C)C=CC(=O)CC
InChIInChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h7-9H,4-6H2,1-3H3
InChIKeyJBOKYJTTWHKTAU-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylnon-4-en-3-one?
The IUPAC name of 6-methylnon-4-en-3-one (CID 3022935) is 6-methylnon-4-en-3-one.
What is the SMILES notation for 6-methylnon-4-en-3-one?
The canonical SMILES for 6-methylnon-4-en-3-one is CCCC(C)C=CC(=O)CC.
What is the InChIKey of 6-methylnon-4-en-3-one?
The InChIKey is JBOKYJTTWHKTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methylnon-4-en-3-one?
6-methylnon-4-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnon-4-en-3-one is sourced from PubChem (CID 3022935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).