(2E,4Z)-4-ethenylhepta-2,4,6-trienal

C9H10O — CID 118145094

IUPAC(2E,4Z)-4-ethenylhepta-2,4,6-trienal
SMILESC=C/C=C(C=C)\C=C\C=O
InChIInChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-
InChIKeyPSFCINJLBTZCFU-BEDCHXNXSA-N
MW134.18 g/mol
LogP2.04
Rot. Bonds4

About (2E,4Z)-4-ethenylhepta-2,4,6-trienal

(2E,4Z)-4-ethenylhepta-2,4,6-trienal (PubChem CID 118145094) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E,4Z)-4-ethenylhepta-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4Z)-4-ethenylhepta-2,4,6-trienal
PubChem CID118145094
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(2E,4Z)-4-ethenylhepta-2,4,6-trienal
SMILESC=C/C=C(C=C)\C=C\C=O
InChIInChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-
InChIKeyPSFCINJLBTZCFU-BEDCHXNXSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.04
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-4-ethenylhepta-2,4,6-trienal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The IUPAC name of (2E,4Z)-4-ethenylhepta-2,4,6-trienal (CID 118145094) is (2E,4Z)-4-ethenylhepta-2,4,6-trienal.
What is the SMILES notation for (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The canonical SMILES for (2E,4Z)-4-ethenylhepta-2,4,6-trienal is C=C/C=C(C=C)\C=C\C=O.
What is the InChIKey of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The InChIKey is PSFCINJLBTZCFU-BEDCHXNXSA-N. The full InChI is InChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-.
What are the key properties of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
(2E,4Z)-4-ethenylhepta-2,4,6-trienal has a molecular weight of 134.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethenylhepta-2,4,6-trienal is sourced from PubChem (CID 118145094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).