7-methylnona-4,6-dien-3-one

C10H16O — CID 90846612

IUPAC7-methylnona-4,6-dien-3-one
SMILESCCC(=O)C=CC=C(C)CC
InChIInChI=1S/C10H16O/c1-4-9(3)7-6-8-10(11)5-2/h6-8H,4-5H2,1-3H3
InChIKeyXADTUILVCNWUEW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About 7-methylnona-4,6-dien-3-one

7-methylnona-4,6-dien-3-one (PubChem CID 90846612) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methylnona-4,6-dien-3-one.

Molecular Properties

Compound Name7-methylnona-4,6-dien-3-one
PubChem CID90846612
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7-methylnona-4,6-dien-3-one
SMILESCCC(=O)C=CC=C(C)CC
InChIInChI=1S/C10H16O/c1-4-9(3)7-6-8-10(11)5-2/h6-8H,4-5H2,1-3H3
InChIKeyXADTUILVCNWUEW-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

nona-3,5-diene-2,7-dione
CID 74986099
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
CID 19107719
2,5-dimethylhepta-2,4-diene
CID 54097255
9,9-dimethylundeca-4,6-diene-3,8-dione
CID 91090491
(E)-1-hydroxypent-1-en-3-one
CID 12637148
butyl (3Z,5Z)-6-methyl-2-methylideneocta-3,5-dienoate
CID 138511944
(E)-4-oxohex-2-enamide
CID 153226355
carbon dioxide;ethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaenoate
CID 158426875
(5E)-2,6-dimethylocta-3,5-dien-2-ol
CID 6436463
2-[formyl-[(1Z,3E)-4-methylhexa-1,3-dienyl]amino]acetic acid
CID 154939696
1-bromo-3,6-dimethylocta-3,5-dien-2-one
CID 91077374
(Z)-4-methylhex-3-en-2-one
CID 12930146

Frequently Asked Questions

What is the IUPAC name of 7-methylnona-4,6-dien-3-one?
The IUPAC name of 7-methylnona-4,6-dien-3-one (CID 90846612) is 7-methylnona-4,6-dien-3-one.
What is the SMILES notation for 7-methylnona-4,6-dien-3-one?
The canonical SMILES for 7-methylnona-4,6-dien-3-one is CCC(=O)C=CC=C(C)CC.
What is the InChIKey of 7-methylnona-4,6-dien-3-one?
The InChIKey is XADTUILVCNWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-9(3)7-6-8-10(11)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 7-methylnona-4,6-dien-3-one?
7-methylnona-4,6-dien-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnona-4,6-dien-3-one is sourced from PubChem (CID 90846612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).