(E)-4-methylnon-4-enedial

C10H16O2 — CID 155804531

IUPAC(E)-4-methylnon-4-enedial
SMILESC/C(=C\CCCC=O)CCC=O
InChIInChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
InChIKeyAFKSPUYAXUNQPA-UXBLZVDNSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds7

About (E)-4-methylnon-4-enedial

(E)-4-methylnon-4-enedial (PubChem CID 155804531) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-4-methylnon-4-enedial.

Molecular Properties

Compound Name(E)-4-methylnon-4-enedial
PubChem CID155804531
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-4-methylnon-4-enedial
SMILESC/C(=C\CCCC=O)CCC=O
InChIInChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
InChIKeyAFKSPUYAXUNQPA-UXBLZVDNSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-methylnon-4-enedial 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

Citral
CID 638011
4-Decenal, (4Z)-
CID 5362620
(+-)-2,6-Dimethyl-5-heptenal
CID 61016
Farnesal
CID 68150
Neral
CID 643779
4-Decenal
CID 61875
cis-6-Nonenal
CID 5362720
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 5280598
5-Decenal, (5Z)-
CID 13940628
2-Ethyl-2-heptenal
CID 6435838
4-Nonenal, (4E)-
CID 5283337
Isocitral
CID 6428928

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylnon-4-enedial?
The IUPAC name of (E)-4-methylnon-4-enedial (CID 155804531) is (E)-4-methylnon-4-enedial.
What is the SMILES notation for (E)-4-methylnon-4-enedial?
The canonical SMILES for (E)-4-methylnon-4-enedial is C/C(=C\CCCC=O)CCC=O.
What is the InChIKey of (E)-4-methylnon-4-enedial?
The InChIKey is AFKSPUYAXUNQPA-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+.
What are the key properties of (E)-4-methylnon-4-enedial?
(E)-4-methylnon-4-enedial has a molecular weight of 168.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylnon-4-enedial is sourced from PubChem (CID 155804531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).