(4Z,6Z)-nona-4,6,8-trien-2-one

C9H12O — CID 142221848

IUPAC(4Z,6Z)-nona-4,6,8-trien-2-one
SMILESC=C/C=C\C=C/CC(C)=O
InChIInChI=1S/C9H12O/c1-3-4-5-6-7-8-9(2)10/h3-7H,1,8H2,2H3/b5-4-,7-6-
InChIKeyBKOQVFLODJXIFK-RZSVFLSASA-N
MW136.19 g/mol
LogP2.26
Rot. Bonds4

About (4Z,6Z)-nona-4,6,8-trien-2-one

(4Z,6Z)-nona-4,6,8-trien-2-one (PubChem CID 142221848) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (4Z,6Z)-nona-4,6,8-trien-2-one.

Molecular Properties

Compound Name(4Z,6Z)-nona-4,6,8-trien-2-one
PubChem CID142221848
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(4Z,6Z)-nona-4,6,8-trien-2-one
SMILESC=C/C=C\C=C/CC(C)=O
InChIInChI=1S/C9H12O/c1-3-4-5-6-7-8-9(2)10/h3-7H,1,8H2,2H3/b5-4-,7-6-
InChIKeyBKOQVFLODJXIFK-RZSVFLSASA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-nona-4,6,8-trien-2-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

butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
CID 5312395
(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742
2-ethylidenenona-4,6,8-trienamide
CID 141190387
oct-4-ene-2,7-dione
CID 57029717
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
(213C)pent-4-en-2-one
CID 173180315
deca-1,3,5,7-tetraene
CID 54238998
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-nona-4,6,8-trien-2-one?
The IUPAC name of (4Z,6Z)-nona-4,6,8-trien-2-one (CID 142221848) is (4Z,6Z)-nona-4,6,8-trien-2-one.
What is the SMILES notation for (4Z,6Z)-nona-4,6,8-trien-2-one?
The canonical SMILES for (4Z,6Z)-nona-4,6,8-trien-2-one is C=C/C=C\C=C/CC(C)=O.
What is the InChIKey of (4Z,6Z)-nona-4,6,8-trien-2-one?
The InChIKey is BKOQVFLODJXIFK-RZSVFLSASA-N. The full InChI is InChI=1S/C9H12O/c1-3-4-5-6-7-8-9(2)10/h3-7H,1,8H2,2H3/b5-4-,7-6-.
What are the key properties of (4Z,6Z)-nona-4,6,8-trien-2-one?
(4Z,6Z)-nona-4,6,8-trien-2-one has a molecular weight of 136.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-nona-4,6,8-trien-2-one is sourced from PubChem (CID 142221848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).