5-ethylnona-1,2-dien-4-one

C11H18O — CID 174600956

IUPAC5-ethylnona-1,2-dien-4-one
SMILESC=C=CC(=O)C(CC)CCCC
InChIInChI=1S/C11H18O/c1-4-7-9-10(6-3)11(12)8-5-2/h8,10H,2,4,6-7,9H2,1,3H3
InChIKeyVAMRYHAZJKQTAM-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.11
Rot. Bonds6

About 5-ethylnona-1,2-dien-4-one

5-ethylnona-1,2-dien-4-one (PubChem CID 174600956) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-ethylnona-1,2-dien-4-one.

Molecular Properties

Compound Name5-ethylnona-1,2-dien-4-one
PubChem CID174600956
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-ethylnona-1,2-dien-4-one
SMILESC=C=CC(=O)C(CC)CCCC
InChIInChI=1S/C11H18O/c1-4-7-9-10(6-3)11(12)8-5-2/h8,10H,2,4,6-7,9H2,1,3H3
InChIKeyVAMRYHAZJKQTAM-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethylnona-1,2-dien-4-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

CID 170842879
CID 170842879
copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one
CID 23594319
3,5-diethylnonan-4-one
CID 115785527
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
1-(2-methylhexoxy)ethyl buta-2,3-dienoate
CID 91107431
(E)-5-ethylpentadec-2-en-4-one
CID 11687471

Frequently Asked Questions

What is the IUPAC name of 5-ethylnona-1,2-dien-4-one?
The IUPAC name of 5-ethylnona-1,2-dien-4-one (CID 174600956) is 5-ethylnona-1,2-dien-4-one.
What is the SMILES notation for 5-ethylnona-1,2-dien-4-one?
The canonical SMILES for 5-ethylnona-1,2-dien-4-one is C=C=CC(=O)C(CC)CCCC.
What is the InChIKey of 5-ethylnona-1,2-dien-4-one?
The InChIKey is VAMRYHAZJKQTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-9-10(6-3)11(12)8-5-2/h8,10H,2,4,6-7,9H2,1,3H3.
What are the key properties of 5-ethylnona-1,2-dien-4-one?
5-ethylnona-1,2-dien-4-one has a molecular weight of 166.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnona-1,2-dien-4-one is sourced from PubChem (CID 174600956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).