(E)-4,6-dimethyloct-2-enal

C10H18O — CID 87291596

IUPAC(E)-4,6-dimethyloct-2-enal
SMILESCCC(C)CC(C)/C=C/C=O
InChIInChI=1S/C10H18O/c1-4-9(2)8-10(3)6-5-7-11/h5-7,9-10H,4,8H2,1-3H3/b6-5+
InChIKeyFYECFSDKKYEQEM-AATRIKPKSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds5

About (E)-4,6-dimethyloct-2-enal

(E)-4,6-dimethyloct-2-enal (PubChem CID 87291596) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-4,6-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-4,6-dimethyloct-2-enal
PubChem CID87291596
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-4,6-dimethyloct-2-enal
SMILESCCC(C)CC(C)/C=C/C=O
InChIInChI=1S/C10H18O/c1-4-9(2)8-10(3)6-5-7-11/h5-7,9-10H,4,8H2,1-3H3/b6-5+
InChIKeyFYECFSDKKYEQEM-AATRIKPKSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4,6-dimethyloct-2-enal 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

4,7-dimethylnon-2-enal
CID 91082356
(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal
CID 132992266
(2E,4E)-N-(2-hydroxyethyl)-6,8-dimethyldeca-2,4-dienamide
CID 53361379
(4S,5R)-5-hydroxy-4-methylhept-2-enal
CID 173171870
3,5-dimethylheptane;ethane
CID 172617343
2,4-dimethylhexan-1-imine
CID 88882138
(E,4R,5S,6R)-6-amino-4,5-dihydroxyoct-2-enal
CID 89046836
(4S)-2,4-dimethylhexane
CID 22810193
3-hydroxy-2,5-dimethylheptanal
CID 87291844
[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate
CID 10988024
(E)-4-iodopent-2-enal
CID 122468439
(Z)-4-hydroxypent-2-enal
CID 89185005

Frequently Asked Questions

What is the IUPAC name of (E)-4,6-dimethyloct-2-enal?
The IUPAC name of (E)-4,6-dimethyloct-2-enal (CID 87291596) is (E)-4,6-dimethyloct-2-enal.
What is the SMILES notation for (E)-4,6-dimethyloct-2-enal?
The canonical SMILES for (E)-4,6-dimethyloct-2-enal is CCC(C)CC(C)/C=C/C=O.
What is the InChIKey of (E)-4,6-dimethyloct-2-enal?
The InChIKey is FYECFSDKKYEQEM-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O/c1-4-9(2)8-10(3)6-5-7-11/h5-7,9-10H,4,8H2,1-3H3/b6-5+.
What are the key properties of (E)-4,6-dimethyloct-2-enal?
(E)-4,6-dimethyloct-2-enal has a molecular weight of 154.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,6-dimethyloct-2-enal is sourced from PubChem (CID 87291596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).