(4E,6E)-2,2-dimethylnona-4,6-dien-3-one

C11H18O — CID 88588845

IUPAC(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
SMILESCC/C=C/C=C/C(=O)C(C)(C)C
InChIInChI=1S/C11H18O/c1-5-6-7-8-9-10(12)11(2,3)4/h6-9H,5H2,1-4H3/b7-6+,9-8+
InChIKeyVYKQYSXYRJLIBR-BLHCBFLLSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds3

About (4E,6E)-2,2-dimethylnona-4,6-dien-3-one

(4E,6E)-2,2-dimethylnona-4,6-dien-3-one (PubChem CID 88588845) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E,6E)-2,2-dimethylnona-4,6-dien-3-one.

Molecular Properties

Compound Name(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
PubChem CID88588845
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
SMILESCC/C=C/C=C/C(=O)C(C)(C)C
InChIInChI=1S/C11H18O/c1-5-6-7-8-9-10(12)11(2,3)4/h6-9H,5H2,1-4H3/b7-6+,9-8+
InChIKeyVYKQYSXYRJLIBR-BLHCBFLLSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
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'}

Analyze (4E,6E)-2,2-dimethylnona-4,6-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
2,2-dimethyldodeca-4,6,10-trien-3-one
CID 149435269
(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one
CID 58017756
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
(5E)-octa-3,5-diene
CID 173104147
ethyl hepta-2,4-dienoate
CID 54483010
(5E,7E,9E)-3,3,12-trimethyltrideca-5,7,9-trien-4-one
CID 89128735
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
1-hydroxy-4,4-dimethylpent-1-en-3-one
CID 40507364
deca-2,4,7-trienoic acid
CID 54400863
N-(2-hydroxy-2-methylbutyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150590728

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,2-dimethylnona-4,6-dien-3-one?
The IUPAC name of (4E,6E)-2,2-dimethylnona-4,6-dien-3-one (CID 88588845) is (4E,6E)-2,2-dimethylnona-4,6-dien-3-one.
What is the SMILES notation for (4E,6E)-2,2-dimethylnona-4,6-dien-3-one?
The canonical SMILES for (4E,6E)-2,2-dimethylnona-4,6-dien-3-one is CC/C=C/C=C/C(=O)C(C)(C)C.
What is the InChIKey of (4E,6E)-2,2-dimethylnona-4,6-dien-3-one?
The InChIKey is VYKQYSXYRJLIBR-BLHCBFLLSA-N. The full InChI is InChI=1S/C11H18O/c1-5-6-7-8-9-10(12)11(2,3)4/h6-9H,5H2,1-4H3/b7-6+,9-8+.
What are the key properties of (4E,6E)-2,2-dimethylnona-4,6-dien-3-one?
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one has a molecular weight of 166.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2,2-dimethylnona-4,6-dien-3-one is sourced from PubChem (CID 88588845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).