6-methylnon-1-en-3-one

C10H18O — CID 173408928

IUPAC6-methylnon-1-en-3-one
SMILESC=CC(=O)CCC(C)CCC
InChIInChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyJUSOOAVWISATKL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About 6-methylnon-1-en-3-one

6-methylnon-1-en-3-one (PubChem CID 173408928) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-methylnon-1-en-3-one.

Molecular Properties

Compound Name6-methylnon-1-en-3-one
PubChem CID173408928
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-methylnon-1-en-3-one
SMILESC=CC(=O)CCC(C)CCC
InChIInChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyJUSOOAVWISATKL-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-ethyloct-1-en-3-one
CID 83963336
4-methylheptanoyl chloride
CID 14234515
(6R)-6-methylnonan-3-one
CID 11805013
2-hydroxy-6-methylnonan-3-one
CID 123192108
2-(3-oxopent-4-enyl)propanedioic acid
CID 139725128
4,8-dimethylundecanoic acid
CID 25230729
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
ethane;(3E)-7-methyl-3-(1-methyliminopropan-2-ylidene)dec-1-en-4-one
CID 177053924
acetylene;4-methylheptane
CID 143164229
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
nonadec-1-en-3-one
CID 3326465

Frequently Asked Questions

What is the IUPAC name of 6-methylnon-1-en-3-one?
The IUPAC name of 6-methylnon-1-en-3-one (CID 173408928) is 6-methylnon-1-en-3-one.
What is the SMILES notation for 6-methylnon-1-en-3-one?
The canonical SMILES for 6-methylnon-1-en-3-one is C=CC(=O)CCC(C)CCC.
What is the InChIKey of 6-methylnon-1-en-3-one?
The InChIKey is JUSOOAVWISATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 6-methylnon-1-en-3-one?
6-methylnon-1-en-3-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 6-methylnon-1-en-3-one is sourced from PubChem (CID 173408928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).