(E)-4,6-dimethyloct-6-en-3-one

C10H18O — CID 11550045

IUPAC(E)-4,6-dimethyloct-6-en-3-one
SMILESC/C=C(\C)CC(C)C(=O)CC
InChIInChI=1S/C10H18O/c1-5-8(3)7-9(4)10(11)6-2/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyBKSCONCLLLPWGA-VMPITWQZSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds4

About (E)-4,6-dimethyloct-6-en-3-one

(E)-4,6-dimethyloct-6-en-3-one (PubChem CID 11550045) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-4,6-dimethyloct-6-en-3-one.

Molecular Properties

Compound Name(E)-4,6-dimethyloct-6-en-3-one
PubChem CID11550045
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-4,6-dimethyloct-6-en-3-one
SMILESC/C=C(\C)CC(C)C(=O)CC
InChIInChI=1S/C10H18O/c1-5-8(3)7-9(4)10(11)6-2/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyBKSCONCLLLPWGA-VMPITWQZSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

Carvone, (+)-
CID 16724
Carvone, (+-)-
CID 7439
Carvone, (-)-
CID 439570
(+-)-Piperitone
CID 6987
Piperitone, L-
CID 107561
Tetrahydro-pseudo-ionone
CID 102604
alpha-Damascone
CID 520506
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
CID 6437428
Nerone
CID 35785
(+)-Piperitone
CID 61362
1,4-Dimethyl-3-cyclohexenyl methyl ketone
CID 65289

Frequently Asked Questions

What is the IUPAC name of (E)-4,6-dimethyloct-6-en-3-one?
The IUPAC name of (E)-4,6-dimethyloct-6-en-3-one (CID 11550045) is (E)-4,6-dimethyloct-6-en-3-one.
What is the SMILES notation for (E)-4,6-dimethyloct-6-en-3-one?
The canonical SMILES for (E)-4,6-dimethyloct-6-en-3-one is C/C=C(\C)CC(C)C(=O)CC.
What is the InChIKey of (E)-4,6-dimethyloct-6-en-3-one?
The InChIKey is BKSCONCLLLPWGA-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(3)7-9(4)10(11)6-2/h5,9H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-4,6-dimethyloct-6-en-3-one?
(E)-4,6-dimethyloct-6-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,6-dimethyloct-6-en-3-one is sourced from PubChem (CID 11550045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).